Crystallography Open Database

Information card for entry 7241608

Preview

Coordinates	7241608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 O5 S
Calculated formula	C17 H20 O5 S
SMILES	S(=O)(=O)([O-])c1ccc(cc1)C.[OH+]=C1C=C(C=CC=C1O)C(C)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	6.6868 ± 0.0002 Å
b	31.6978 ± 0.0011 Å
c	7.7242 ± 0.0003 Å
α	90°
β	93.655 ± 0.001°
γ	90°
Cell volume	1633.87 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0688
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7241608.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.	7241608.cif