4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~
Suh, I-H.; Lim, S-S.; Lee, J-H.; Ryu, B-Y; Kim, M-J.; Yoon, C.S.; Hong, H-K.; Lee, K.S.; Acta Crystallographica Section C 50 (1994) 1768–1770; doi:10.1107/S0108270194000533

data_2010179
_publ_section_title
;
 4-Methoxy-3-methyl-4'-nitrostilbene, C~16~H~15~NO~3~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1768
_journal_page_last               1770
_journal_paper_doi               10.1107/S0108270194000533
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H15 N O3'
_chemical_formula_weight         269.3
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   15.750(3)
_cell_length_b                   13.470(2)
_cell_length_c                   13.356(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    291
_cell_measurement_theta_max      14.13
_cell_measurement_theta_min      10.09
_cell_volume                     2833.5(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1258
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.35
_diffrn_standards_interval_time  100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.16
_refine_ls_goodness_of_fit_obs   1.067
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     240
_refine_ls_number_reflns         728
_refine_ls_R_factor_obs          0.0414
_refine_ls_shift/esd_max         0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.000824F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0415
_reflns_number_observed          728
_reflns_number_total             1221
_reflns_observed_criterion       F>=3\s(F)
_cod_data_source_file            hl1045.cif
_cod_data_source_block           hl1045_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.000824F^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)+0.000824F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2833(2)
_cod_original_formula_sum        'C16 H15 N1 O3'
_cod_database_code               2010179