Crystallography Open Database

Information card for entry 7028200

Preview

Coordinates	7028200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 P
Calculated formula	C25 H33 P
SMILES	P(C#CC(=C)C)(C#CC(=C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.
Authors of publication	Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	632 - 638
a	16.9566 ± 0.0001 Å
b	9.4777 ± 0.0001 Å
c	15.6185 ± 0.0001 Å
α	90°
β	108.341 ± 0.001°
γ	90°
Cell volume	2382.53 ± 0.04 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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