Crystallography Open Database

Information card for entry 4103315

Preview

Coordinates	4103315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 O4
Calculated formula	C6 H6 O4
SMILES	C1(=O)C2(CCC2)C(=O)OO1
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	6.492 ± 0.0007 Å
b	6.138 ± 0.0006 Å
c	7.61 ± 0.0008 Å
α	90°
β	91.908 ± 0.004°
γ	90°
Cell volume	303.07 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1127
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

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