Crystallography Open Database

Information card for entry 1560801

Preview

Coordinates	1560801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N8 O S2 Zn
Calculated formula	C32 H30 N8 O S2 Zn0.9688
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	10.3073 ± 0.0006 Å
b	29.5898 ± 0.0018 Å
c	9.8383 ± 0.0006 Å
α	90°
β	90.5116 ± 0.0015°
γ	90°
Cell volume	3000.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262424 (current)	2021-03-04	cif/ Adding structures of 1560801 via cif-deposit CGI script.	1560801.cif