Crystallography Open Database

Information card for entry 7152241

Preview

Coordinates	7152241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 N
Calculated formula	C9 H11 N
Title of publication	One-pot preparation of piperazines by regioselective ring-opening of non-activated arylaziridines.
Authors of publication	Trinchera, Piera; Musio, Biagia; Degennaro, Leonardo; Moliterni, Anna; Falcicchio, Aurelia; Luisi, Renzo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	10
Pages of publication	1962 - 1965
a	5.804 ± 0.002 Å
b	21.72 ± 0.01 Å
c	6.563 ± 0.004 Å
α	90°
β	113.508 ± 0.004°
γ	90°
Cell volume	758.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.1174
Weighted residual factors for significantly intense reflections	0.3181
Weighted residual factors for all reflections included in the refinement	0.3582
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
180308 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/22.	7152241.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152241.cif
37733	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7152239, 7152240, 7152241 via cif-deposit CGI script.	7152241.cif