Does Chirality Influence the Tendency toward Cocrystal Formation?
George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom; Crystal Growth & Design 14 (2014) 2880–; doi:10.1021/cg500181t

data_4510872
_publ_section_title
;
 Does Chirality Influence the Tendency toward Cocrystal Formation?
;
_journal_issue                   6
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              2880
_journal_paper_doi               10.1021/cg500181t
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C8 H14 N2 O2, C6 H10 O4'
_chemical_formula_sum            'C14 H24 N2 O6'
_chemical_formula_weight         316.35
_chemical_name_common
'Levetiracetam 2,2-dimethylsuccinic acid cocrystal'
_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'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.9259(9)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   6.23877(7)
_cell_length_b                   11.55362(12)
_cell_length_c                   11.34360(12)
_cell_measurement_temperature    295
_cell_volume                     817.544(15)
_computing_molecular_graphics    'Mercury 3.0'
_computing_publication_material  'enCIFer 1.4'
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.775045
_diffrn_source                   synchrotron
_diffrn_source_type              SLS
_exptl_absorpt_coefficient_mu    0.121
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_description       powder
_exptl_crystal_F_000             340.0
_pd_char_colour                  colourless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.003800
_pd_meas_2theta_range_max        49.99660
_pd_meas_2theta_range_min        3.00200
_pd_meas_number_of_points        12368
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.003800
_pd_proc_2theta_range_max        50.0045
_pd_proc_2theta_range_min        3.0099
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        1.2539
_pd_proc_ls_prof_wR_expected     0.3698
_pd_proc_ls_prof_wR_factor       1.5456
_pd_proc_wavelength              0.775045
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   4.1792
_refine_ls_number_parameters     12
_refine_ls_number_reflns         1317
_refine_ls_number_restraints     125
_refine_ls_R_I_factor            8.7502
_refine_ls_shift/su_max          0.02
_cod_data_source_file            cg500181t_si_002.cif
_cod_data_source_block           LEVI-DMSA
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4510871--4510880.cif.
;
_cod_database_code               4510872
_pd_proc_ls_prof_cr_factor       16.9066
_pd_proc_ls_prof_cwr_factor      17.3734
_pd_proc_ls_prof_cwr_expected    4.1571
_pd_proc_ls_prof_chi2            17.4657
_pd_proc_ls_prof_echi2           18.3234