Crystallography Open Database

Information card for entry 7241606

Preview

Coordinates	7241606.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	colchicine
Formula	C32 H33 N O9 S
Calculated formula	C32 H33 N O9 S
SMILES	S(=O)(=O)([O-])c1ccc2c(c1)cccc2.O(c1c2C3=CC=C(OC)C(C=C3[C@@H](NC(=O)C)CCc2cc(OC)c1OC)=[OH+])C
Title of publication	Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring
Authors of publication	Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	1
Pages of publication	30 - 34
a	7.825 ± 0.002 Å
b	16.685 ± 0.005 Å
c	21.993 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2871.4 ± 1.4 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
261584 (current)	2021-02-05	cif/ Updating files of 7241604, 7241605, 7241606, 7241607, 7241608, 7241609, 7241610, 7241611, 7241612, 7241613, 7241614, 7241615, 7241616 Original log message: Adding full bibliography for 7241604--7241616.cif.	7241606.cif
259326	2020-11-29	cif/ Adding structures of 7241604, 7241605, 7241606, 7241607, 7241608, 7241609, 7241610, 7241611, 7241612, 7241613, 7241614, 7241615, 7241616 via cif-deposit CGI script.	7241606.cif