Crystallography Open Database

Information card for entry 1560800

Preview

Coordinates	1560800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28.5 Cl1.5 N8 O0.25 S2 Zn
Calculated formula	C23 H28.5 Cl1.5 N8 O0.25 S2 Zn
Title of publication	Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53.
Authors of publication	Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R.
Journal of publication	Journal of medicinal chemistry
Year of publication	2021
Journal volume	64
Journal issue	4
Pages of publication	2024 - 2045
a	14.257 ± 0.0016 Å
b	11.4474 ± 0.0013 Å
c	17.156 ± 0.0019 Å
α	90°
β	108.496 ± 0.002°
γ	90°
Cell volume	2655.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262423 (current)	2021-03-04	cif/ Adding structures of 1560800 via cif-deposit CGI script.	1560800.cif