Crystallography Open Database

Information card for entry 4119729

4119728 << 4119729 >> 4119730

Preview

Coordinates	4119729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 O7
Calculated formula	C10 H16 O7
SMILES	C1(=O)OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)OC)OC)OC
Title of publication	Polycarbonates Derived from Glucose via an Organocatalytic Approach
Authors of publication	Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6826 - 6829
a	8.2828 ± 0.0008 Å
b	8.5783 ± 0.001 Å
c	12.4406 ± 0.0014 Å
α	80.819 ± 0.009°
β	87.674 ± 0.008°
γ	89.574 ± 0.008°
Cell volume	871.89 ± 0.17 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178968 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/97.	4119729.cif
103905	2014-03-07	cif/ Adding structures of 4119729 via cif-deposit CGI script.	4119729.cif