Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam
Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.; Acta Crystallographica Section C 52 (1996) 1255–1257; doi:10.1107/S0108270195016027

data_2004894
_publ_section_title
;
 Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in
 Vietnam
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1255
_journal_page_last               1257
_journal_paper_doi               10.1107/S0108270195016027
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C12 H14 O3'
_chemical_formula_sum            'C12 H14 O3'
_chemical_formula_weight         206.24
_chemical_melting_point          49.5
_chemical_name_common            'ethyl p-methoxycinnamate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.000(10)
_cell_angle_beta                 96.160(10)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            4
_cell_length_a                   21.640(2)
_cell_length_b                   7.8660(10)
_cell_length_c                   6.720(10)
_cell_measurement_reflns_used    190
_cell_measurement_temperature    293
_cell_measurement_theta_max      35
_cell_measurement_theta_min      20
_cell_volume                     1137.3(17)
_computing_cell_refinement       'Stoe software'
_computing_data_collection       'Stoe software'
_computing_data_reduction
'Xtal3.2 ADDREF SORTRF (Hall, Flack & Stewart, 1992)'
_computing_molecular_graphics
'Xtal3.2 ORTEP (Johnson, 1965) and SCHAKAL88 (Keller, 1988)'
_computing_publication_material  'Xtal3.2 BONDLA CIFIO'
_computing_structure_refinement  'Xtal3.2 CRYLSQ'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Stoe four-circle MicroVAX-controlled'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Cu K\a radiation, Ni filtered'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  .018
_diffrn_reflns_av_sigmaI/netI    .034
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -7
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_diffrn_reflns_theta_min         4.11
_diffrn_standards_decay_%        3
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.713
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'no correction'
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_description       plate
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         .113
_refine_diff_density_min         -.103
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       155E1(7)
_refine_ls_extinction_method     Zachariasen
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_refine_ls_goodness_of_fit_obs   .418
_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_obs          .039
_refine_ls_shift/esd_max         .577
_refine_ls_shift/esd_mean        .134
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_all         .044
_refine_ls_wR_factor_obs         .034
_reflns_number_observed          1642
_reflns_number_total             1883
_reflns_observed_criterion       refl_observed_if_F_>_2\s(F)
_cod_data_source_file            ka1167.cif
_cod_data_source_block           DBT29
_cod_original_cell_volume        1137(2)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2004894