Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine
Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J.; Chemical Communications  (2001) 53–; doi:10.1039/b007482i

data_7111134
_publ_section_title
;
 Crystal structures of (R,R)-{[Ph(Me)CH]2NLi&#x00B7;pmdeta} and
 {[PhC(&#xE006;CH2)NH]Na&#x00B7;pmdeta}2: alkali metal amides derived from
 (R,R)-bis(\a-methylbenzyl)amine
;
_journal_issue                   1
_journal_name_full               'Chemical Communications'
_journal_page_first              53
_journal_paper_doi               10.1039/b007482i
_journal_year                    2001
_chemical_formula_sum            'C25 H41 Li N4'
_chemical_formula_weight         404.56
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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            4
_cell_length_a                   9.987(2)
_cell_length_b                   13.692(3)
_cell_length_c                   18.553(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2537.0(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_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  0.1156
_diffrn_reflns_av_sigmaI/netI    0.1201
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25387
_diffrn_reflns_theta_full        28.47
_diffrn_reflns_theta_max         28.47
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.062
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.059
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.202
_refine_diff_density_min         -0.190
_refine_diff_density_rms         0.042
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         5769
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.1771
_refine_ls_R_factor_gt           0.0911
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+1.3805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1261
_refine_ls_wR_factor_ref         0.1509
_reflns_number_gt                3246
_reflns_number_total             5769
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b007482isup1.cif
_cod_data_source_block           1
_cod_database_code               7111134