Crystallography Open Database

Information card for entry 4108479

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Coordinates	4108479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 F6 O Sb
Calculated formula	C9 H15 F6 O Sb
Title of publication	Oxatriquinane and Oxatriquinacene: Extraordinary Oxonium Ions
Authors of publication	Mark Mascal; Nema Hafezi; Nabin K. Meher; James C. Fettinger
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13532 - 13533
a	10.2858 ± 0.0007 Å
b	10.2858 ± 0.0007 Å
c	19.3715 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1774.9 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0552
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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