Crystallography Open Database

Information card for entry 4033599

Preview

Coordinates	4033599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 N3
Calculated formula	C10 H7 N3
Title of publication	Substituent Effects on 3-Arylazoindole Photoswitches.
Authors of publication	Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	11
Pages of publication	6565 - 6575
a	9.5514 ± 0.0003 Å
b	9.5468 ± 0.0002 Å
c	17.8087 ± 0.0005 Å
α	90°
β	105.517 ± 0.003°
γ	90°
Cell volume	1564.7 ± 0.08 Å³
Cell temperature	296.95 ± 0.1 K
Ambient diffraction temperature	296.95 ± 0.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223234 (current)	2019-11-04	cif/ Updating files of 4033594, 4033595, 4033596, 4033597, 4033598, 4033599 Original log message: Adding full bibliography for 4033594--4033599.cif.	4033599.cif
215279	2019-05-18	cif/ Adding structures of 4033599 via cif-deposit CGI script.	4033599.cif