10-(3-Methoxybenzylidene)anthrone
Wei Zhou; Xue-Feng Liu; Wei-Xiao Hu; Chun-Nian Xia; Acta Crystallographica Section E 61 (2005) o4263–o4265; doi:10.1107/S1600536805038195

data_2207694
_publ_section_title
;
 10-(3-Methoxybenzylidene)anthrone
;
_journal_coeditor_code           WN6399
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4263
_journal_page_last               o4265
_journal_paper_doi               10.1107/S1600536805038195
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C22 H16 O2'
_chemical_formula_moiety         'C22 H16 O2'
_chemical_formula_sum            'C22 H16 O2'
_chemical_formula_weight         312.35
_chemical_name_systematic
;
10-(3-Methoxybenzylidene)anthrone
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.165(2)
_cell_length_b                   16.345(2)
_cell_length_c                   13.963(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      10.75
_cell_measurement_theta_min      10.49
_cell_volume                     1635.2(6)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (McArdle, 2000)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
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_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
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_diffrn_standards_decay_%        0
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_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
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'w = 1/[\s^2^(Fo^2^)+(0.1119P)^2^+0.1776P] where P = (Fo^2^+2Fc^2^)/3'
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