Crystallography Open Database

Information card for entry 1505931

Preview

Coordinates	1505931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 Br N2 O2
Calculated formula	C12 H11 Br N2 O2
Title of publication	Highly regioselective transformation of alkenyl bromides into alpha-bromoaziridines and alpha-bromohydrazones.
Authors of publication	Krasnova, Larissa B.; Yudin, Andrei K.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	10
Pages of publication	2011 - 2014
a	7.8657 ± 0.0005 Å
b	9.0257 ± 0.0005 Å
c	9.668 ± 0.0006 Å
α	64.462 ± 0.004°
β	75.228 ± 0.003°
γ	74.537 ± 0.004°
Cell volume	589.1 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505931.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1505931.cif
47860	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505931 via cif-deposit CGI script.	1505931.cif