Crystallography Open Database

Information card for entry 1501900

1501899 << 1501900 >> 1501901

Preview

Coordinates	1501900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Cl N2 O2
Calculated formula	C25 H25 Cl N2 O2
SMILES	Clc1ccc(C(=C\C)\N(C(=O)N(c2ccc(cc2)C)C)c2ccc(OC)cc2)cc1
Title of publication	Geometry-selective synthesis of E or Z N-vinyl ureas (N-carbamoyl enamines).
Authors of publication	Lefranc, Julien; Tetlow, Daniel J.; Donnard, Morgan; Minassi, Alberto; Gálvez, Erik; Clayden, Jonathan
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	2
Pages of publication	296 - 299
a	14.655 ± 0.008 Å
b	11.644 ± 0.005 Å
c	14.194 ± 0.006 Å
α	90°
β	115.844 ± 0.015°
γ	90°
Cell volume	2179.9 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0845
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1501900.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501900.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501900.cif
35242	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501900 via cif-deposit CGI script.	1501900.cif