data_3000266
loop_
_publ_author_name
'Krištofíková, Dominika'
'Mečiarová, Mária'
'Rakovský, Erik'
'Šebesta, Radovan'
_journal_name_full               'To be published in other ACS journals'
_chemical_formula_sum            'C30 H28 Br F N4 O4'
_chemical_name_systematic
;
tert-butyl ((S)-1-benzyl-5-bromo-3-((R)-4-fluoro-3-methyl-5-oxo-1-phenyl-
-4,5-dihydro-1H-pyrazol-4-yl)-2-oxoindolin-3-yl)carbamate
;
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.7070(10)
_cell_angle_gamma                90
_cell_length_a                   9.47750(10)
_cell_length_b                   11.6057(2)
_cell_length_c                   12.6312(2)
_cell_measurement_temperature    100
_cell_volume                     1388.73(4)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.0903
_cod_database_code               3000266
_cod_hold_until_date             2020-10-15
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?
