Crystallography Open Database

Information card for entry 7109593

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Coordinates	7109593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 O6
Calculated formula	C12 H20 O6
Title of publication	Desymmetrization of 4,6-diprotected myo-inositol
Authors of publication	Markus B. Lauber; Constantin-Gabriel Daniliuc; Jan Paradies
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	7409
a	21.6206 ± 0.0004 Å
b	11.0216 ± 0.0002 Å
c	23.9782 ± 0.0005 Å
α	90°
β	108.049 ± 0.001°
γ	90°
Cell volume	5432.68 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2275
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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