Crystallography Open Database

Information card for entry 3000266

Preview

No preview available: structure is on hold until 2020-10-15

Coordinates	Coordinates are not available: structure is on hold until 2020-10-15

Structure parameters

Chemical name	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
Formula	C30 H28 Br F N4 O4
Authors of publication	Krištofíková, Dominika; Mečiarová, Mária; Rakovský, Erik; Šebesta, Radovan
Journal of publication	To be published in other ACS journals
a	9.4775 ± 0.0001 Å
b	11.6057 ± 0.0002 Å
c	12.6312 ± 0.0002 Å
α	90°
β	91.707 ± 0.001°
γ	90°
Cell volume	1388.73 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.