Crystallography Open Database

Information card for entry 7247414

Preview

Coordinates	7247414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 F O5
Calculated formula	C20 H21 F O5
Title of publication	Discovery of Novel Tubulin CBSI (R)-9k from Indanone Scaffold for the Treatment of Colorectal Cancer
Authors of publication	Huo, Zhipeng; Min, Delin; Zhang, Shijie; Tang, Mei-Lin; Sun, Xun
Journal of publication	RSC Medicinal Chemistry
Year of publication	2023
a	14.3474 ± 0.0005 Å
b	4.428 ± 0.0001 Å
c	14.8423 ± 0.0005 Å
α	90°
β	109.905 ± 0.001°
γ	90°
Cell volume	886.6 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7247414.html