Crystallography Open Database

Information card for entry 4024233

Preview

Coordinates	4024233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 O4
Calculated formula	C10 H20 O4
SMILES	O[C@]1([C@H](O)[C@H](O)[C@@](O)(CC1)C(C)C)C.O[C@@]1([C@@H](O)[C@@H](O)[C@](O)(CC1)C(C)C)C
Title of publication	Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols
Authors of publication	Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	274 - 282
a	9.3219 ± 0.0005 Å
b	10.5827 ± 0.0019 Å
c	11.9459 ± 0.0016 Å
α	83.63 ± 0.02°
β	68.448 ± 0.013°
γ	73.18 ± 0.02°
Cell volume	1049.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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