Crystallography Open Database

Information card for entry 7062001

7062000 << 7062001 >> 7062002

Preview

Coordinates	7062001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 F3 N2 O3
Calculated formula	C14 H9 F3 N2 O3
SMILES	FC(F)(F)c1cc(/N=C/c2c(O)ccc(N(=O)=O)c2)ccc1
Title of publication	Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects
Authors of publication	Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.
Journal of publication	New Journal of Chemistry
Year of publication	2022
a	14.3168 ± 0.0006 Å
b	6.7716 ± 0.0003 Å
c	14.232 ± 0.0005 Å
α	90°
β	106.79 ± 0.004°
γ	90°
Cell volume	1320.94 ± 0.1 Å³
Cell temperature	299.97 ± 0.12 K
Ambient diffraction temperature	299.97 ± 0.12 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062001.html