Crystallography Open Database

Information card for entry 4106332

Preview

Coordinates	4106332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 N2 O6
Calculated formula	C18 H24 N2 O6
SMILES	O1C(=O)N(C(=O)[C@](NC(=O)OC(C)(C)C)([C@H]1c1ccccc1)C)CCO.O1C(=O)N(C(=O)[C@@](NC(=O)OC(C)(C)C)([C@@H]1c1ccccc1)C)CCO
Title of publication	Chiral Brønsted Acid-Catalyzed Asymmetric Trisubstituted Aziridine Synthesis Using α-Diazoacyl Oxazolidinones
Authors of publication	Takuya Hashimoto; Hiroki Nakatsu; Kumiko Yamamoto; Keiji Maruoka
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9730 - 9733
a	11.443 ± 0.0004 Å
b	14.9679 ± 0.0005 Å
c	11.569 ± 0.0004 Å
α	90°
β	111.381 ± 0.0019°
γ	90°
Cell volume	1845.13 ± 0.11 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
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	0.0525
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178809 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/63.	4106332.cif
178089	2016-03-10	cif/4 Fixing Z values and formulae	4106332.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106332.cif
53131	2012-04-17	cif/ Adding structures of 4106332 via cif-deposit CGI script.	4106332.cif