Crystallography Open Database

Information card for entry 7242543

Preview

Coordinates	7242543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 F4 O2
Calculated formula	C32 H24 F4 O2
Title of publication	Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals
Authors of publication	Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	34
Pages of publication	5856 - 5868
a	5.9906 ± 0.0011 Å
b	26.824 ± 0.006 Å
c	8.121 ± 0.0018 Å
α	90°
β	100.511 ± 0.005°
γ	90°
Cell volume	1283.1 ± 0.5 Å³
Cell temperature	144 ± 2 K
Ambient diffraction temperature	144.53 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1433
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.27
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268695 (current)	2021-09-06	cif/ Updating files of 7242537, 7242538, 7242539, 7242540, 7242541, 7242542, 7242543, 7242544, 7242545, 7242546, 7242547, 7242548, 7242549 Original log message: Adding full bibliography for 7242537--7242549.cif.	7242543.cif
263380	2021-03-27	cif/ Adding structures of 7242537, 7242538, 7242539, 7242540, 7242541, 7242542, 7242543, 7242544, 7242545, 7242546, 7242547, 7242548, 7242549 via cif-deposit CGI script.	7242543.cif