A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.; Acta Crystallographica Section C 51 (1995) 1447–1452; doi:10.1107/S0108270195000801

data_2003623
_publ_section_title
;
 A Crystalline Inclusion Compound and Two Host Structures Containing
 Chiral Molecules Derived from Lactic Acid
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1447
_journal_page_last               1452
_journal_paper_doi               10.1107/S0108270195000801
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C23 H20 O2'
_chemical_formula_sum            'C23 H20 O2'
_chemical_formula_weight         328.41
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.5347(33)
_cell_length_b                   17.3004(14)
_cell_length_c                   7.6486(3)
_cell_measurement_reflns_used    61
_cell_measurement_temperature    295
_cell_measurement_theta_max      45
_cell_measurement_theta_min      2
_cell_volume                     3378.8(5)
_diffrn_measurement_device       'Philips PW1100 four-circle'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1565
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.15
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     305
_refine_ls_number_reflns         1414
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.12
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      empirical
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          1414
_reflns_number_total             1565
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1235.cif
_cod_data_source_block           ab1235c
_cod_original_cell_volume        3378.9(5)
_cod_original_formula_sum        ' C23 H20 O2 '
_cod_database_code               2003623