Crystallography Open Database

Information card for entry 7153332

Preview

Coordinates	7153332.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)O[C@@](C2=C)([C@@H](C)C=C)C)cc1.Ic1ccc(N2C(=O)O[C@](C2=C)([C@H](C)C=C)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	15.4263 ± 0.0006 Å
b	7.5195 ± 0.0003 Å
c	13.4786 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1563.49 ± 0.1 Å³
Cell temperature	296.2 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 significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.645
Diffraction radiation wavelength	0.7107 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.	7153332.cif
93026	2014-01-12	cif/ Adding structures of 7153330, 7153331, 7153332, 7153333, 7153334 via cif-deposit CGI script.	7153332.cif