Crystallography Open Database

Information card for entry 7118717

Preview

Coordinates	7118717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H Br F3 N
Calculated formula	C6 H Br F3 N
Title of publication	Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals
Authors of publication	Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2016
Journal volume	52
Journal issue	10
Pages of publication	2103 - 2106
a	4.446 ± 0.001 Å
b	15.197 ± 0.003 Å
c	9.65 ± 0.002 Å
α	90°
β	91.628 ± 0.003°
γ	90°
Cell volume	651.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0511
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7118651
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209676 (current)	2018-08-14	cif/7/11/ Updating bibliography in entries 7118643-7118651, 7118709-7118717. Marking entries 7118709-7118717 as duplicates of entries 7118643-7118651.	7118717.cif
176263	2016-02-08	cif/ Adding structures of 7118709, 7118710, 7118711, 7118712, 7118713, 7118714, 7118715, 7118716, 7118717 via cif-deposit CGI script.	7118717.cif