data_3000217
loop_
_publ_author_name
'Petr Brazda'
'Lukas Palatinus'
'Martin Babor'
_publ_section_title
;
 ? Absolute configuration determination of extremely beam sensitive
 nanocrystalline pharmaceutical cocrystal Sofosbuvir L-proline
;
_journal_name_full               'To be published'
_diffrn_ambient_temperature      100
_cell_measurement_temperature    100
_chemical_name_common            'Sofosbuvir, L-proline'
_chemical_formula_sum            'C27 H38 F N4 O11 P'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_length_a                   5.34
_cell_length_b                   19.53
_cell_length_c                   29.98
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_volume                     3126.620
_diffrn_radiation_probe          electron
_diffrn_radiation_wavelength     0.0335
_diffrn_radiation_type           electron
_refine_ls_R_factor_all          0.1623
_refine_ls_R_factor_gt           0.0986
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0962
_refine_ls_goodness_of_fit_ref   2.40
_refine_ls_goodness_of_fit_gt    3.01
_cod_hold_until_date             2019-05-03
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?