Crystallography Open Database

Information card for entry 4111240

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Structure parameters

Formula	C51 H27 Cu1.5 F18 O6
Calculated formula	C51 H27 Cu1.5 F18 O6
Title of publication	Copper-Catalyzed Rearrangement of Vinyl Oxiranes
Authors of publication	Lindsay A. Batory; Christine E. McInnis; Jon T. Njardarson
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16054 - 16055
a	11.1008 ± 0.0004 Å
b	14.5074 ± 0.0005 Å
c	16.1862 ± 0.0005 Å
α	76.251 ± 0.002°
β	81.606 ± 0.002°
γ	73.17 ± 0.002°
Cell volume	2415.18 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.275
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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