Crystallography Open Database

Information card for entry 7037151

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Structure parameters

Formula	C47 H46 B F10 P
Calculated formula	C47 H46 B F10 P
SMILES	[B](C1[P+](CC(=C1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(/C=C/C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1
Title of publication	Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.
Authors of publication	Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6111 - 6117
a	11.2089 ± 0.0002 Å
b	30.0074 ± 0.0006 Å
c	12.2976 ± 0.0002 Å
α	90°
β	95.073 ± 0.001°
γ	90°
Cell volume	4120.09 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7037151.cif
181721	2016-04-05	cif/ Updating files of 7037148, 7037149, 7037150, 7037151, 7037152 Original log message: Adding full bibliography for 7037148--7037152.cif.	7037151.cif
170239	2015-11-12	cif/ Adding structures of 7037148, 7037149, 7037150, 7037151, 7037152 via cif-deposit CGI script.	7037151.cif