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_2003624
_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_sum            'C52 H71 N O4'
_chemical_formula_weight         774.14
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 102.220(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.6039(5)
_cell_length_b                   31.6071(19)
_cell_length_c                   6.2398(2)
_cell_measurement_reflns_used    74
_cell_measurement_temperature    295
_cell_measurement_theta_max      45
_cell_measurement_theta_min      2
_cell_volume                     2236.69(18)
_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_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4303
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.149
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.15
_refine_ls_number_parameters     792
_refine_ls_number_reflns         3464
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.16
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      empirical
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          3464
_reflns_number_total             3881
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1235.cif
_cod_data_source_block           ab1235a
_cod_original_cell_volume        2236.7(2)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        ' C52 H71 N1 O4 '
_cod_database_code               2003624