Ethyl 2-(4-chlorophenyl)-3-(3,5-dimethoxyphenoxy)acrylate
Chen, Wu; Cui, Yong-Ming; Pan, Fei; Xia, Dong-Sheng; Zeng, Qing-Fu; Acta Crystallographica Section E 64 (2008) o2471–; doi:10.1107/S1600536808039263

data_2220355
_publ_section_title
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 Ethyl 2-(4-chlorophenyl)-3-(3,5-dimethoxyphenoxy)acrylate
;
_journal_coeditor_code           SU2078
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2471
_journal_paper_doi               10.1107/S1600536808039263
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C19 H19 Cl O5'
_chemical_formula_moiety         'C19 H19 Cl O5'
_chemical_formula_sum            'C19 H19 Cl O5'
_chemical_formula_weight         362.80
_chemical_name_systematic
;
Ethyl 2-(4-chlorophenyl)-3-(3,5-dimethoxyphenoxy)acrylate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                77.84(2)
_cell_angle_beta                 75.42(3)
_cell_angle_gamma                87.40(3)
_cell_formula_units_Z            2
_cell_length_a                   9.601(2)
_cell_length_b                   9.607(3)
_cell_length_c                   10.368(2)
_cell_measurement_reflns_used    1273
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      2.4
_cell_volume                     904.7(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.07
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_exptl_absorpt_correction_T_min  0.9323
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_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
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_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0584P)^2^+0.3443P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1468
_reflns_number_gt                2153
_reflns_number_total             3280
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2078.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2220355
_cod_database_fobs_code          2220355