Crystallography Open Database

Information card for entry 4103313

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Coordinates	4103313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 O4
Calculated formula	C5 H4 O4
SMILES	C1(=O)C2(CC2)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	9.717 ± 0.001 Å
b	9.211 ± 0.0009 Å
c	6.035 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	540.15 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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