Crystallography Open Database

Information card for entry 7057448

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Coordinates	7057448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N2 S
Calculated formula	C22 H28 N2 S
Title of publication	Strain, switching and fluorescence behavior of a nine-membered cyclic azobenzene
Authors of publication	Saha, Monochura; Ghosh, Sanjib; Bandyopadhyay, Subhajit
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	10784
a	9.6876 ± 0.0012 Å
b	16.245 ± 0.002 Å
c	13.2988 ± 0.0018 Å
α	90°
β	105.104 ± 0.013°
γ	90°
Cell volume	2020.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.2016
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.768
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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