Crystallography Open Database

Information card for entry 7153330

Preview

Coordinates	7153330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 I N O2
Calculated formula	C15 H16 I N O2
SMILES	Ic1ccc(N2C(=O)OC(C)(C/C=C\C)C2=C)cc1
Title of publication	Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.
Authors of publication	Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	9
Pages of publication	2009 - 2011
a	10.6005 ± 0.0009 Å
b	11.9567 ± 0.0009 Å
c	12.2672 ± 0.0008 Å
α	90°
β	100.851 ± 0.002°
γ	90°
Cell volume	1527 ± 0.2 Å³
Cell temperature	296.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.618
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7153330.cif
93026	2014-01-12	cif/ Adding structures of 7153330, 7153331, 7153332, 7153333, 7153334 via cif-deposit CGI script.	7153330.cif