Crystallography Open Database

Information card for entry 7153190

Preview

Coordinates	7153190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Br N3 O
Calculated formula	C26 H26 Br N3 O
SMILES	O=C(N(N(Cc1ccccc1)Cc1ccccc1)[C@H](C#N)C(C)C)c1ccc(Br)cc1
Title of publication	Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.
Authors of publication	Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	47
Pages of publication	8247 - 8255
a	10.807 ± 0.0004 Å
b	10.807 ± 0.0004 Å
c	40.306 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4707.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180317 (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 7/15/31.	7153190.cif
91655	2013-12-13	cif/ Adding structures of 7153190 via cif-deposit CGI script.	7153190.cif