Crystallography Open Database

Information card for entry 7112762

Preview

Coordinates	7112762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O6
Calculated formula	C16 H19 N O6
SMILES	[C@@H]1(C(C[C@@H](C\1=N\O)CO)(C(=O)OC)C(=O)OC)c1ccccc1
Title of publication	One-pot asymmetric cyclocarbohydroxylation sequence for the enantioselective synthesis of functionalised cyclopentanes.
Authors of publication	Raimondi, Wilfried; Lettieri, Grégory; Dulcère, Jean-Pierre; Bonne, Damien; Rodriguez, Jean
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	38
Pages of publication	7247 - 7249
a	6.9284 ± 0.0001 Å
b	7.6008 ± 0.0002 Å
c	31.6931 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1669 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112762.cif
112077	2014-04-29	cif/ Adding structures of 7112762 via cif-deposit CGI script.	7112762.cif