Crystallography Open Database

Information card for entry 1518275

Preview

Coordinates	1518275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N O
Calculated formula	C14 H19 N O
SMILES	NC(=O)[C@H]1[C@H](c2ccc(C(C)(C)C)cc2)C1
Title of publication	Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.
Authors of publication	Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter
Journal of publication	Chemical science (Royal Society of Chemistry : 2010)
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1219 - 1224
a	7.0592 ± 0.0002 Å
b	9.6718 ± 0.0003 Å
c	18.5618 ± 0.0006 Å
α	90°
β	91.179 ± 0.002°
γ	90°
Cell volume	1267.04 ± 0.07 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1518275.cif
133095	2015-03-06	cif/ Updating files of 1518275, 1518276, 1518277 Original log message: Adding full bibliography for 1518275--1518277.cif.	1518275.cif
127528	2014-11-20	cif/ Adding structures of 1518275, 1518276, 1518277 via cif-deposit CGI script.	1518275.cif