Crystallography Open Database

Information card for entry 7225839

Preview

Coordinates	7225839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H8 Br2 F4 O2
Calculated formula	C17 H8 Br2 F4 O2
Title of publication	Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding
Authors of publication	Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	34
Pages of publication	6327
a	3.8981 ± 0.0003 Å
b	13.3018 ± 0.001 Å
c	15.2307 ± 0.0011 Å
α	93.626 ± 0.003°
β	96.888 ± 0.003°
γ	93.357 ± 0.004°
Cell volume	780.72 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
186353 (current)	2016-09-10	cif/ Updating files of 7225839, 7225840 Original log message: Adding full bibliography for 7225839--7225840.cif.	7225839.cif
184269	2016-07-07	cif/ Adding structures of 7225839, 7225840 via cif-deposit CGI script.	7225839.cif