Crystallography Open Database

Information card for entry 7150883

Preview

Coordinates	7150883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H25 N3 O3
Calculated formula	C13 H25 N3 O3
Title of publication	Propensity for local folding induced by the urea fragment in short-chain oligomers
Authors of publication	Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	14
Pages of publication	2596 - 2610
a	9.4284 ± 0.0002 Å
b	15.824 ± 0.0003 Å
c	21.002 ± 0.0005 Å
α	90°
β	98.536 ± 0.002°
γ	90°
Cell volume	3098.68 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1189
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation probe	x-ray
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
180294 (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 7/15/08.	7150883.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7150883.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150883.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150883.cif