Solid state structures of the chiral lithium amide complexes (S )-[(Ph(Me)CH)(PhCH2)NLi·thf]2 and (R)-[(Ph(Me)CH)(PhCH2)NLi·pmdta] †
Andrews, Philip C.; Duggan, Peter J.; Fallon, Gary D.; McCarthy, Tom D.; Peatt, Anna C.; Journal of the Chemical Society, Dalton Transactions  (2000) 1937–; doi:10.1039/b000747l

data_7009412
_publ_section_title
;
 Solid state structures of the chiral lithium amide complexes
 (S&#x200A;)-[(Ph(Me)CH)(PhCH2)NLi&#x00B7;thf]2 and
 (R)-[(Ph(Me)CH)(PhCH2)NLi&#x00B7;pmdta]&#x200A;&#x2020;
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1937
_journal_paper_doi               10.1039/b000747l
_journal_year                    2000
_chemical_formula_sum            'C19 H24 Li N O'
_chemical_formula_weight         289.33
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.5270(10)
_cell_length_b                   11.5270(10)
_cell_length_c                   25.4810(10)
_cell_measurement_temperature    123(2)
_cell_volume                     3385.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0865
_diffrn_reflns_av_sigmaI/netI    0.0647
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            35455
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    0.068
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.237
_refine_diff_density_min         -0.227
_refine_diff_density_rms         0.040
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.4(21)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         4039
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+1.4777P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1270
_reflns_number_gt                3102
_reflns_number_total             4039
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b000747l.txt
_cod_data_source_block           rLi.thf
_cod_original_sg_symbol_H-M      P4(3)2(1)2
_cod_database_code               7009412