Crystallography Open Database

Information card for entry 4103314

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Structure parameters

Formula	C7 H8 O4
Calculated formula	C7 H8 O4
SMILES	C12(CCCC1)C(=O)OOC2=O
Title of publication	Alkene Syn Dihydroxylation with Malonoyl Peroxides
Authors of publication	James C. Griffith; Kevin M. Jones; Sylvain Picon; Michael J. Rawling; Benson M. Kariuki; Matthew Campbell; Nicholas C. O. Tomkinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14409 - 14411
a	9.448 ± 0.0007 Å
b	6.465 ± 0.0005 Å
c	11.59 ± 0.0011 Å
α	90°
β	95.283 ± 0.003°
γ	90°
Cell volume	704.93 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4103314.cif
178779	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 4/10/33.	4103314.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103314.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103314.cif
26295	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103314 via cif-deposit CGI script.	4103314.cif