Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane
Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher; Acta Crystallographica Section C 69 (2013) 798–802; doi:10.1107/S010827011301651X

data_2019070
_publ_section_title
;
 Dibenzylammonium hydrogen maleate and a redetermination at 120K of
 bis(dibenzylamino)methane
;
_journal_coeditor_code           YF3037
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              798
_journal_page_last               802
_journal_paper_doi               10.1107/S010827011301651X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C29 H30 N2'
_chemical_formula_moiety         'C29 H30 N2'
_chemical_formula_sum            'C29 H30 N2'
_chemical_formula_weight         406.55
_chemical_name_systematic
;
Bis(dibenzylamino)methane
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 130.428(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.548(6)
_cell_length_b                   12.9426(16)
_cell_length_c                   18.555(3)
_cell_measurement_reflns_used    5366
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.76
_cell_volume                     4670.4(16)
_computing_cell_refinement       'DIRAX/LSQ (Duisenberg <i>et al.</i>, 2000)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'EVALCCD (Duisenberg <i>et al.</i>, 2003)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
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_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker--Nonius FR591 rotating anode'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.76
_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  0
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0482P)^2^+1.0280P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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_cod_database_fobs_code          2019070