<i>N</i>^1^,<i>N</i>^2^-Di(<i>p</i>-tolyl)benzamidine, C~21~H~20~N~2~
Alcock, N.W.; Blacker, N.C.; Errington, W.; Wallbridge, M.G.H.; Acta Crystallographica Section C 50 (1994) 456–458; doi:10.1107/S0108270193009035

data_2009543
_publ_section_title
;
 <i>N</i>^1^,<i>N</i>^2^-Di(<i>p</i>-tolyl)benzamidine, C~21~H~20~N~2~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              456
_journal_page_last               458
_journal_paper_doi               10.1107/S0108270193009035
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C21 H20 N2'
_chemical_formula_weight         300.4
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'SHELXTL-Plus (Sheldrick, 1986)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   11.364(2)
_cell_length_b                   16.452(3)
_cell_length_c                   18.609(4)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    290
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     3479.1(12)
_diffrn_measurement_device       'Siemens P3R3'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2146
_diffrn_reflns_theta_max         21
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.07
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.15
_exptl_crystal_description       'irregular blocks'
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.14
_refine_diff_density_min         -0.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.16
_refine_ls_hydrogen_treatment    'see below'
_refine_ls_number_parameters     427
_refine_ls_number_reflns         1388
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.04
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0012F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.070
_reflns_number_observed          1388
_reflns_number_total             2146
_reflns_observed_criterion       I>=2.0\s(I)
_cod_data_source_file            hu1054.cif
_cod_data_source_block           hu1054_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0012F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.0012F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3479(4)
_cod_database_code               2009543