A Chiral Mesogenic Compound
Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T.; Acta Crystallographica Section C 52 (1996) 441–444; doi:10.1107/S0108270195008584

data_2004531
_publ_section_title
;
 A Chiral Mesogenic Compound
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              441
_journal_page_last               444
_journal_paper_doi               10.1107/S0108270195008584
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C37 H44 O5'
_chemical_formula_sum            'C37 H44 O5'
_chemical_formula_weight         568.76
_chemical_name_systematic
;
 4-(1-methylheptyloxycarbonyl)phenyl 4-heptyloxytolane-4'-carboxylate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
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_cell_angle_beta                 90.290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.4670(10)
_cell_length_b                   5.5260(10)
_cell_length_c                   35.792(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      42
_cell_measurement_theta_min      20
_cell_volume                     1674.6(5)
_computing_cell_refinement       'CAD4 Software'
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_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         Xray-tube
_diffrn_radiation_type           'Copper K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.96
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_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_reduction_process SDP
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_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  90
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_exptl_absorpt_coefficient_mu    0.591
_exptl_absorpt_correction_T_max  .998
_exptl_absorpt_correction_T_min  .937
_exptl_absorpt_correction_type
'experimental via \y scans (SDP; B. A. Frenz & Associates, 1982)'
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 2.5/[\s^2^(F)+0.00136F^2^]'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '2.5/[\s^2^(F)+0.00136F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
2.5/[\s^2^(F)+0.00136F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1674.5
_cod_original_sg_symbol_Hall     'P 2y'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2004531