Lenalidomide–Gallic Acid Cocrystals with Constant High Solubility
Song, Jia-Xi; Chen, Jia-Mei; Lu, Tong-Bu; Crystal Growth & Design 15 (2015) 4869–; doi:10.1021/acs.cgd.5b00699

data_4516374
_publ_section_title
;
 Lenalidomide--Gallic Acid Cocrystals with Constant High Solubility
;
_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4869
_journal_paper_doi               10.1021/acs.cgd.5b00699
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C20 H19 N3 O8'
_chemical_formula_weight         429.38
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                92.217(7)
_cell_angle_beta                 90.992(7)
_cell_angle_gamma                115.549(10)
_cell_formula_units_Z            2
_cell_length_a                   7.4961(7)
_cell_length_b                   8.3257(9)
_cell_length_c                   16.3618(12)
_cell_measurement_reflns_used    1903
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      65.3504
_cell_measurement_theta_min      5.4107
_cell_volume                     919.95(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector_area_resol_mean 10.5058
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0648
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5785
_diffrn_reflns_theta_full        63.66
_diffrn_reflns_theta_max         63.66
_diffrn_reflns_theta_min         5.42
_exptl_absorpt_coefficient_mu    1.035
_exptl_absorpt_correction_T_max  0.9796
_exptl_absorpt_correction_T_min  0.9036
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       noodle
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         2986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0454P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1093
_reflns_number_gt                2131
_reflns_number_total             2986
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00699_si_003.cif
_cod_data_source_block           exp_5047
_cod_original_cell_volume        919.95(15)
_cod_database_code               4516374