Crystallography Open Database

Information card for entry 7232659

Preview

Coordinates	7232659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N3 O4
Calculated formula	C21 H19 N3 O4
Title of publication	Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification
Authors of publication	Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	20
Pages of publication	3170
a	7.911 ± 0.0001 Å
b	11.6159 ± 0.0002 Å
c	40.0826 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3683.33 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223624 (current)	2019-11-07	cif/ Updating files of 7232658, 7232659 Original log message: Adding full bibliography for 7232658--7232659.cif.	7232659.cif
214778	2019-04-26	cif/ Adding structures of 7232658, 7232659 via cif-deposit CGI script.	7232659.cif