Crystallography Open Database

Information card for entry 4119731

4119730 << 4119731 >> 4119732

Preview

Coordinates	4119731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H18 O6
Calculated formula	C9 H18 O6
SMILES	OC[C@H]1O[C@H](OC)[C@H](OC)[C@@H](OC)[C@@H]1O
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	9.4244 ± 0.0002 Å
b	9.4244 ± 0.0002 Å
c	22.8217 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1755.44 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	3
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
178089 (current)	2016-03-10	cif/4 Fixing Z values and formulae	4119731.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4119731.cif
103907	2014-03-07	cif/ Adding structures of 4119731 via cif-deposit CGI script.	4119731.cif