Crystallography Open Database

Information card for entry 7111942

7111941 << 7111942 >> 7111943

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Coordinates	7111942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H33 B F10 S
Calculated formula	C42 H33 B F10 S
Title of publication	Ethene/alkyne exchange reaction at an intramolecular frustrated Lewis pair
Authors of publication	Christina Eller; Kathrin Bussmann; Gerald Kehr; Birgit Wibbeling; Constantin G. Daniliuc; Gerhard Erker
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1980
a	11.6658 ± 0.0001 Å
b	12.1737 ± 0.0001 Å
c	15.0272 ± 0.0001 Å
α	102.447 ± 0.001°
β	109.041 ± 0.001°
γ	102.988 ± 0.001°
Cell volume	1866.56 ± 0.03 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0827
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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