 
data_e:\crysta~1\aw1211\aw1112 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C25 H47 Li N4 O'  
_chemical_formula_sum 
 'C25 H47 Li N4 O' 
_chemical_formula_weight          426.61 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Li'  'Li'  -0.0003   0.0001 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M    'P 21/n' 
_symmetry_space_group_name_Hall   '-P 2yn'

loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    9.6194(2) 
_cell_length_b                    29.1721(8) 
_cell_length_c                    10.0296(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  102.643(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      2746.24(13) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     180(2) 
_cell_measurement_reflns_used     9888 
_cell_measurement_theta_min       1
_cell_measurement_theta_max       24.41 
 
_exptl_crystal_description        block
_exptl_crystal_colour             red
_exptl_crystal_size_max           0.12 
_exptl_crystal_size_mid           0.10 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.032 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              944 
_exptl_absorpt_coefficient_mu     0.063 
_exptl_absorpt_correction_type 'multi-scan' 
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
 
 
_diffrn_ambient_temperature       180(2) 
_diffrn_radiation_wavelength      0.71070 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Nonius Kappa CCD'
_diffrn_measurement_method        'Thin slice ω and φ scans'
_diffrn_reflns_number             14239 
_diffrn_reflns_av_R_equivalents   0.0477 
_diffrn_reflns_av_sigmaI/netI     0.0684 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -31 
_diffrn_reflns_limit_k_max        33 
_diffrn_reflns_limit_l_min        -10 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          3.54 
_diffrn_reflns_theta_max          24.40 
_reflns_number_total              4461 
_reflns_number_gt                 2591 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Collect (Nonius B.V. 1998)'
_computing_cell_refinement        'HKL Scalepack (Otwinowski & Minor 1997)' 
_computing_data_reduction
;
 HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_structure_solution     'SIR-92 (Altomare et al. 1994)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick 1997)' 
_computing_publication_material   'SHELXL-97 (Sheldrick 1997)' 
 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0658P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4461 
_refine_ls_number_parameters      310 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1008 
_refine_ls_R_factor_gt            0.0493 
_refine_ls_wR_factor_ref          0.1261 
_refine_ls_wR_factor_gt           0.1121 
_refine_ls_goodness_of_fit_ref    0.976 
_refine_ls_restrained_S_all       0.976 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
O1 O 0.20249(13) 0.11532(4) 0.39602(11) 0.0466(4) Uani 1 1 d . . . 
N1 N 0.42347(15) 0.11483(5) 0.52751(13) 0.0404(4) Uani 1 1 d . . . 
N3 N -0.02183(16) 0.11287(6) 0.04051(15) 0.0496(5) Uani 1 1 d . . . 
N2 N -0.06967(16) 0.05555(6) 0.25813(16) 0.0508(5) Uani 1 1 d . . . 
C7 C 0.3335(2) 0.11156(6) 0.40451(17) 0.0374(5) Uani 1 1 d . . . 
C14 C 0.3693(2) 0.11903(7) 0.65470(17) 0.0438(5) Uani 1 1 d . . . 
H14 H 0.4549 0.1196 0.7319 0.053 Uiso 1 1 calc R . . 
N4 N -0.05577(17) 0.18250(6) 0.24194(15) 0.0492(4) Uani 1 1 d . . . 
C2 C 0.3984(2) 0.05692(8) 0.2419(2) 0.0484(5) Uani 1 1 d . . . 
C5 C 0.4633(2) 0.12459(9) 0.0735(2) 0.0479(5) Uani 1 1 d . . . 
C1 C 0.39001(18) 0.10181(7) 0.28011(17) 0.0384(5) Uani 1 1 d . . . 
C6 C 0.42155(19) 0.13933(7) 0.19721(17) 0.0399(5) Uani 1 1 d . . . 
C4 C 0.4695(2) 0.07923(9) 0.0397(2) 0.0527(6) Uani 1 1 d . . . 
C8 C 0.4144(2) 0.18459(8) 0.2336(2) 0.0514(6) Uani 1 1 d . . . 
C3 C 0.4376(2) 0.04445(9) 0.1200(2) 0.0551(6) Uani 1 1 d . . . 
C11 C 0.5789(2) 0.11386(8) 0.54181(19) 0.0578(6) Uani 1 1 d . . . 
H11 H 0.5970 0.1128 0.4474 0.069 Uiso 1 1 calc R . . 
C25 C 0.0420(2) 0.21765(8) 0.3136(2) 0.0691(7) Uani 1 1 d . . . 
H25A H -0.0026 0.2479 0.2964 0.104 Uiso 1 1 calc R . . 
H25B H 0.1305 0.2171 0.2803 0.104 Uiso 1 1 calc R . . 
H25C H 0.0635 0.2114 0.4120 0.104 Uiso 1 1 calc R . . 
C17 C 0.0367(2) 0.01912(8) 0.2891(2) 0.0667(7) Uani 1 1 d . . . 
H17A H -0.0111 -0.0107 0.2785 0.100 Uiso 1 1 calc R . . 
H17B H 0.0913 0.0225 0.3832 0.100 Uiso 1 1 calc R . . 
H17C H 0.1014 0.0211 0.2261 0.100 Uiso 1 1 calc R . . 
C16 C 0.2839(2) 0.07728(8) 0.67667(19) 0.0614(6) Uani 1 1 d . . . 
H16A H 0.1947 0.0765 0.6072 0.092 Uiso 1 1 calc R . . 
H16B H 0.2624 0.0787 0.7677 0.092 Uiso 1 1 calc R . . 
H16C H 0.3392 0.0495 0.6693 0.092 Uiso 1 1 calc R . . 
C22 C -0.1324(2) 0.14867(9) 0.0131(2) 0.0648(7) Uani 1 1 d . . . 
H22A H -0.2207 0.1368 0.0360 0.078 Uiso 1 1 calc R . . 
H22B H -0.1539 0.1562 -0.0855 0.078 Uiso 1 1 calc R . . 
C15 C 0.2905(2) 0.16348(8) 0.6629(2) 0.0662(7) Uani 1 1 d . . . 
H15A H 0.3478 0.1892 0.6420 0.099 Uiso 1 1 calc R . . 
H15B H 0.2738 0.1672 0.7552 0.099 Uiso 1 1 calc R . . 
H15C H 0.1990 0.1628 0.5967 0.099 Uiso 1 1 calc R . . 
C21 C 0.0885(2) 0.12036(9) -0.0378(2) 0.0733(7) Uani 1 1 d . . . 
H21A H 0.1619 0.0966 -0.0143 0.110 Uiso 1 1 calc R . . 
H21B H 0.1317 0.1506 -0.0156 0.110 Uiso 1 1 calc R . . 
H21C H 0.0454 0.1189 -0.1358 0.110 Uiso 1 1 calc R . . 
C9 C 0.4432(2) 0.22461(8) 0.1502(2) 0.0616(6) Uani 1 1 d . . . 
H9A H 0.3616 0.2287 0.0717 0.074 Uiso 1 1 calc R . . 
H9B H 0.5287 0.2181 0.1136 0.074 Uiso 1 1 calc R . . 
C13 C 0.6481(2) 0.15713(11) 0.6085(2) 0.0876(9) Uani 1 1 d . . . 
H13A H 0.6027 0.1839 0.5580 0.131 Uiso 1 1 calc R . . 
H13B H 0.7497 0.1569 0.6076 0.131 Uiso 1 1 calc R . . 
H13C H 0.6366 0.1586 0.7031 0.131 Uiso 1 1 calc R . . 
C10 C 0.4667(3) 0.26845(8) 0.2321(3) 0.0791(7) Uani 1 1 d . . . 
H10A H 0.3825 0.2750 0.2689 0.119 Uiso 1 1 calc R . . 
H10B H 0.4828 0.2937 0.1729 0.119 Uiso 1 1 calc R . . 
H10C H 0.5501 0.2650 0.3076 0.119 Uiso 1 1 calc R . . 
C23 C -0.0870(3) 0.19115(8) 0.0938(2) 0.0637(6) Uani 1 1 d . . . 
H23A H -0.0009 0.2037 0.0681 0.076 Uiso 1 1 calc R . . 
H23B H -0.1635 0.2144 0.0709 0.076 Uiso 1 1 calc R . . 
Li1 Li 0.0444(3) 0.11732(11) 0.2537(3) 0.0463(8) Uani 1 1 d . . . 
C19 C -0.1572(2) 0.05039(8) 0.1211(2) 0.0674(7) Uani 1 1 d . . . 
H19A H -0.2463 0.0681 0.1138 0.081 Uiso 1 1 calc R . . 
H19B H -0.1831 0.0177 0.1048 0.081 Uiso 1 1 calc R . . 
C24 C -0.1861(2) 0.18256(9) 0.2945(2) 0.0737(7) Uani 1 1 d . . . 
H24A H -0.1632 0.1740 0.3913 0.111 Uiso 1 1 calc R . . 
H24B H -0.2538 0.1604 0.2431 0.111 Uiso 1 1 calc R . . 
H24C H -0.2284 0.2133 0.2843 0.111 Uiso 1 1 calc R . . 
C12 C 0.6428(2) 0.07035(11) 0.6145(2) 0.0867(9) Uani 1 1 d . . . 
H12A H 0.6221 0.0692 0.7059 0.130 Uiso 1 1 calc R . . 
H12B H 0.7462 0.0704 0.6226 0.130 Uiso 1 1 calc R . . 
H12C H 0.6012 0.0435 0.5618 0.130 Uiso 1 1 calc R . . 
C20 C -0.0826(2) 0.06649(9) 0.0145(2) 0.0690(7) Uani 1 1 d . . . 
H20A H -0.0050 0.0447 0.0092 0.083 Uiso 1 1 calc R . . 
H20B H -0.1507 0.0663 -0.0752 0.083 Uiso 1 1 calc R . . 
C18 C -0.1590(3) 0.05421(9) 0.3607(3) 0.0858(8) Uani 1 1 d . . . 
H18A H -0.2030 0.0239 0.3598 0.129 Uiso 1 1 calc R . . 
H18B H -0.2336 0.0776 0.3387 0.129 Uiso 1 1 calc R . . 
H18C H -0.0996 0.0602 0.4516 0.129 Uiso 1 1 calc R . . 
H2 H 0.3759(17) 0.0329(6) 0.3028(17) 0.042(5) Uiso 1 1 d . . . 
H8 H 0.3861(19) 0.1929(6) 0.3161(19) 0.051(6) Uiso 1 1 d . . . 
H4 H 0.4994(18) 0.0737(6) -0.0478(19) 0.049(5) Uiso 1 1 d . . . 
H3 H 0.444(2) 0.0119(9) 0.106(2) 0.076(7) Uiso 1 1 d . . . 
H5 H 0.4812(19) 0.1484(7) 0.0154(19) 0.052(6) Uiso 1 1 d . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
O1 C7 1.249(2) . ? 
O1 Li1 1.845(3) . ? 
N1 C7 1.346(2) . ? 
N1 C11 1.471(2) . ? 
N1 C14 1.485(2) . ? 
N3 C21 1.468(3) . ? 
N3 C22 1.473(3) . ? 
N3 C20 1.474(3) . ? 
N3 Li1 2.097(3) . ? 
N2 C19 1.454(2) . ? 
N2 C17 1.461(3) . ? 
N2 C18 1.478(3) . ? 
N2 Li1 2.116(4) . ? 
C7 C1 1.493(3) . ? 
C14 C16 1.512(3) . ? 
C14 C15 1.513(3) . ? 
C14 H14 1.0000 . ? 
N4 C24 1.462(3) . ? 
N4 C25 1.469(3) . ? 
N4 C23 1.472(2) . ? 
N4 Li1 2.123(4) . ? 
C2 C1 1.372(3) . ? 
C2 C3 1.405(3) . ? 
C2 H2 0.984(19) . ? 
C5 C4 1.371(3) . ? 
C5 C6 1.450(3) . ? 
C5 H5 0.95(2) . ? 
C1 C6 1.446(3) . ? 
C6 C8 1.376(3) . ? 
C4 C3 1.371(3) . ? 
C4 H4 0.995(19) . ? 
C8 C9 1.497(3) . ? 
C8 H8 0.957(19) . ? 
C3 H3 0.96(2) . ? 
C11 C13 1.513(3) . ? 
C11 C12 1.525(3) . ? 
C11 H11 1.0000 . ? 
C25 H25A 0.9800 . ? 
C25 H25B 0.9800 . ? 
C25 H25C 0.9800 . ? 
C17 H17A 0.9800 . ? 
C17 H17B 0.9800 . ? 
C17 H17C 0.9800 . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C22 C23 1.492(3) . ? 
C22 Li1 2.785(3) . ? 
C22 H22A 0.9900 . ? 
C22 H22B 0.9900 . ? 
C15 H15A 0.9800 . ? 
C15 H15B 0.9800 . ? 
C15 H15C 0.9800 . ? 
C21 H21A 0.9800 . ? 
C21 H21B 0.9800 . ? 
C21 H21C 0.9800 . ? 
C9 C10 1.510(3) . ? 
C9 H9A 0.9900 . ? 
C9 H9B 0.9900 . ? 
C13 H13A 0.9800 . ? 
C13 H13B 0.9800 . ? 
C13 H13C 0.9800 . ? 
C10 H10A 0.9800 . ? 
C10 H10B 0.9800 . ? 
C10 H10C 0.9800 . ? 
C23 H23A 0.9900 . ? 
C23 H23B 0.9900 . ? 
C19 C20 1.488(3) . ? 
C19 H19A 0.9900 . ? 
C19 H19B 0.9900 . ? 
C24 H24A 0.9800 . ? 
C24 H24B 0.9800 . ? 
C24 H24C 0.9800 . ? 
C12 H12A 0.9800 . ? 
C12 H12B 0.9800 . ? 
C12 H12C 0.9800 . ? 
C20 H20A 0.9900 . ? 
C20 H20B 0.9900 . ? 
C18 H18A 0.9800 . ? 
C18 H18B 0.9800 . ? 
C18 H18C 0.9800 . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C7 O1 Li1 134.74(15) . . ? 
C7 N1 C11 121.59(15) . . ? 
C7 N1 C14 121.12(15) . . ? 
C11 N1 C14 117.28(13) . . ? 
C21 N3 C22 111.78(17) . . ? 
C21 N3 C20 110.30(17) . . ? 
C22 N3 C20 112.08(17) . . ? 
C21 N3 Li1 116.26(15) . . ? 
C22 N3 Li1 101.09(14) . . ? 
C20 N3 Li1 104.92(15) . . ? 
C19 N2 C17 111.05(16) . . ? 
C19 N2 C18 110.52(18) . . ? 
C17 N2 C18 108.67(18) . . ? 
C19 N2 Li1 105.30(15) . . ? 
C17 N2 Li1 106.36(15) . . ? 
C18 N2 Li1 114.86(16) . . ? 
O1 C7 N1 119.52(16) . . ? 
O1 C7 C1 120.39(15) . . ? 
N1 C7 C1 120.05(16) . . ? 
N1 C14 C16 111.27(15) . . ? 
N1 C14 C15 113.03(16) . . ? 
C16 C14 C15 112.85(18) . . ? 
N1 C14 H14 106.4 . . ? 
C16 C14 H14 106.4 . . ? 
C15 C14 H14 106.4 . . ? 
C24 N4 C25 109.30(17) . . ? 
C24 N4 C23 111.23(16) . . ? 
C25 N4 C23 109.98(17) . . ? 
C24 N4 Li1 113.30(16) . . ? 
C25 N4 Li1 111.33(15) . . ? 
C23 N4 Li1 101.51(14) . . ? 
C1 C2 C3 122.2(2) . . ? 
C1 C2 H2 118.2(10) . . ? 
C3 C2 H2 119.6(10) . . ? 
C4 C5 C6 122.2(2) . . ? 
C4 C5 H5 122.2(12) . . ? 
C6 C5 H5 115.5(12) . . ? 
C2 C1 C6 121.98(17) . . ? 
C2 C1 C7 117.99(17) . . ? 
C6 C1 C7 119.78(16) . . ? 
C8 C6 C1 123.01(17) . . ? 
C8 C6 C5 123.43(19) . . ? 
C1 C6 C5 113.56(18) . . ? 
C5 C4 C3 122.8(2) . . ? 
C5 C4 H4 114.4(11) . . ? 
C3 C4 H4 122.8(11) . . ? 
C6 C8 C9 125.0(2) . . ? 
C6 C8 H8 120.9(11) . . ? 
C9 C8 H8 114.0(11) . . ? 
C4 C3 C2 117.2(2) . . ? 
C4 C3 H3 128.0(13) . . ? 
C2 C3 H3 114.7(14) . . ? 
N1 C11 C13 111.51(19) . . ? 
N1 C11 C12 110.95(18) . . ? 
C13 C11 C12 113.00(19) . . ? 
N1 C11 H11 107.0 . . ? 
C13 C11 H11 107.0 . . ? 
C12 C11 H11 107.0 . . ? 
N4 C25 H25A 109.5 . . ? 
N4 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
N4 C25 H25C 109.5 . . ? 
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ? 
N2 C17 H17A 109.5 . . ? 
N2 C17 H17B 109.5 . . ? 
H17A C17 H17B 109.5 . . ? 
N2 C17 H17C 109.5 . . ? 
H17A C17 H17C 109.5 . . ? 
H17B C17 H17C 109.5 . . ? 
C14 C16 H16A 109.5 . . ? 
C14 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
C14 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
N3 C22 C23 111.98(17) . . ? 
N3 C22 Li1 47.65(10) . . ? 
C23 C22 Li1 75.65(13) . . ? 
N3 C22 H22A 109.2 . . ? 
C23 C22 H22A 109.2 . . ? 
Li1 C22 H22A 94.4 . . ? 
N3 C22 H22B 109.2 . . ? 
C23 C22 H22B 109.2 . . ? 
Li1 C22 H22B 153.3 . . ? 
H22A C22 H22B 107.9 . . ? 
C14 C15 H15A 109.5 . . ? 
C14 C15 H15B 109.5 . . ? 
H15A C15 H15B 109.5 . . ? 
C14 C15 H15C 109.5 . . ? 
H15A C15 H15C 109.5 . . ? 
H15B C15 H15C 109.5 . . ? 
N3 C21 H21A 109.5 . . ? 
N3 C21 H21B 109.5 . . ? 
H21A C21 H21B 109.5 . . ? 
N3 C21 H21C 109.5 . . ? 
H21A C21 H21C 109.5 . . ? 
H21B C21 H21C 109.5 . . ? 
C8 C9 C10 112.38(19) . . ? 
C8 C9 H9A 109.1 . . ? 
C10 C9 H9A 109.1 . . ? 
C8 C9 H9B 109.1 . . ? 
C10 C9 H9B 109.1 . . ? 
H9A C9 H9B 107.9 . . ? 
C11 C13 H13A 109.5 . . ? 
C11 C13 H13B 109.5 . . ? 
H13A C13 H13B 109.5 . . ? 
C11 C13 H13C 109.5 . . ? 
H13A C13 H13C 109.5 . . ? 
H13B C13 H13C 109.5 . . ? 
C9 C10 H10A 109.5 . . ? 
C9 C10 H10B 109.5 . . ? 
H10A C10 H10B 109.5 . . ? 
C9 C10 H10C 109.5 . . ? 
H10A C10 H10C 109.5 . . ? 
H10B C10 H10C 109.5 . . ? 
N4 C23 C22 112.08(18) . . ? 
N4 C23 H23A 109.2 . . ? 
C22 C23 H23A 109.2 . . ? 
N4 C23 H23B 109.2 . . ? 
C22 C23 H23B 109.2 . . ? 
H23A C23 H23B 107.9 . . ? 
O1 Li1 N3 143.32(18) . . ? 
O1 Li1 N2 107.47(16) . . ? 
N3 Li1 N2 85.72(13) . . ? 
O1 Li1 N4 111.01(16) . . ? 
N3 Li1 N4 88.05(13) . . ? 
N2 Li1 N4 122.19(16) . . ? 
O1 Li1 C22 157.60(18) . . ? 
N3 Li1 C22 31.27(8) . . ? 
N2 Li1 C22 94.41(12) . . ? 
N4 Li1 C22 58.28(9) . . ? 
N2 C19 C20 112.10(17) . . ? 
N2 C19 H19A 109.2 . . ? 
C20 C19 H19A 109.2 . . ? 
N2 C19 H19B 109.2 . . ? 
C20 C19 H19B 109.2 . . ? 
H19A C19 H19B 107.9 . . ? 
N4 C24 H24A 109.5 . . ? 
N4 C24 H24B 109.5 . . ? 
H24A C24 H24B 109.5 . . ? 
N4 C24 H24C 109.5 . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 
C11 C12 H12A 109.5 . . ? 
C11 C12 H12B 109.5 . . ? 
H12A C12 H12B 109.5 . . ? 
C11 C12 H12C 109.5 . . ? 
H12A C12 H12C 109.5 . . ? 
H12B C12 H12C 109.5 . . ? 
N3 C20 C19 113.41(18) . . ? 
N3 C20 H20A 108.9 . . ? 
C19 C20 H20A 108.9 . . ? 
N3 C20 H20B 108.9 . . ? 
C19 C20 H20B 108.9 . . ? 
H20A C20 H20B 107.7 . . ? 
N2 C18 H18A 109.5 . . ? 
N2 C18 H18B 109.5 . . ? 
H18A C18 H18B 109.5 . . ? 
N2 C18 H18C 109.5 . . ? 
H18A C18 H18C 109.5 . . ? 
H18B C18 H18C 109.5 . . ? 
 
_diffrn_measured_fraction_theta_max    0.985 
_diffrn_reflns_theta_full              24.40 
_diffrn_measured_fraction_theta_full   0.985 
_refine_diff_density_max    0.159 
_refine_diff_density_min   -0.141 
_refine_diff_density_rms    0.030 
