Crystallography Open Database

Information card for entry 4105266

Preview

Coordinates	4105266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 O2
Calculated formula	C13 H20 O2
SMILES	O1C[C@]23CC(=C)[C@H](C[C@H]2C[C@@]1(O)C)CC3
Title of publication	Total Syntheses of (\±)-Platencin and (-)-Platencin
Authors of publication	K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15909 - 15917
a	6.0634 ± 0.0012 Å
b	11.813 ± 0.002 Å
c	16.238 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1163.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0465
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178798 (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 4/10/52.	4105266.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105266.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105266.cif
30460	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105266 via cif-deposit CGI script.	4105266.cif