Crystallography Open Database

Information card for entry 1512105

Preview

Coordinates	1512105.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CP254PPP
Formula	C24 H27 N O4 S
Calculated formula	C24 H27 N O4 S
SMILES	S(=O)(=O)(c1ccccc1)/C=C/[C@]1(N(C(=O)CC[C@@H]1CC(=O)C)Cc1ccccc1)C.S(=O)(=O)(c1ccccc1)/C=C/[C@@]1(N(C(=O)CC[C@H]1CC(=O)C)Cc1ccccc1)C
Title of publication	Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.
Authors of publication	Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2814 - 2817
a	11.3759 ± 0.0012 Å
b	11.6984 ± 0.0012 Å
c	15.9768 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2126.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512105.cif
87235	2013-07-14	cif/ Adding structures of 1512105 via cif-deposit CGI script.	1512105.cif