Crystallography Open Database

Information card for entry 7156884

Preview

Coordinates	7156884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N2 O2
Calculated formula	C21 H22 N2 O2
Title of publication	Visible light triggered photo-decomposition of vinyl azides to (E)-stilbene derivatives via 1,2-acyl migration.
Authors of publication	Borra, Satheesh; Borkotoky, Lodsna; Newar, Uma Devi; Kalwar, Anshu; Das, Babulal; Maurya, Ram Awatar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	24
Pages of publication	5971 - 5981
a	9.6679 ± 0.0009 Å
b	9.2605 ± 0.0009 Å
c	20.717 ± 0.002 Å
α	90°
β	101.965 ± 0.003°
γ	90°
Cell volume	1814.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0523
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225034 (current)	2019-11-08	cif/ Updating files of 7156884 Original log message: Adding full bibliography for 7156884.cif.	7156884.cif
215625	2019-05-31	cif/ Adding structures of 7156884 via cif-deposit CGI script.	7156884.cif