Crystallography Open Database

Information card for entry 1529075

Preview

Coordinates	1529075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.52 H21.52 F6 N0.48 O2 S2
Calculated formula	C28.52 H21.52 F6 N0.48 O2 S2
Title of publication	Light-driven bending of diarylethene mixed crystals
Authors of publication	Ohshima, Satoko; Morimoto, Masakazu; Irie, Masahiro
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5746
a	18.2529 ± 0.0005 Å
b	6.5741 ± 0.0002 Å
c	21.2658 ± 0.0006 Å
α	90°
β	100.998 ± 0.0014°
γ	90°
Cell volume	2504.95 ± 0.13 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0426
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170924 (current)	2015-12-09	cif/ Updating files of 1529075, 1529076 Original log message: Adding full bibliography for 1529075--1529076.cif.	1529075.cif
152058	2015-07-15	cif/ Adding structures of 1529075, 1529076 via cif-deposit CGI script.	1529075.cif