Crystallography Open Database

Information card for entry 7104370

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Structure parameters

Formula	C36 H35 B F15 P
Calculated formula	C36 H35 B F15 P
SMILES	[P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[C@H]1C=C[C@@H](CC1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[C@@H]1C=C[C@H](CC1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	1,4-Addition reactions of frustrated Lewis pairs to 1,3-dienes.
Authors of publication	Ullrich, Matthias; Seto, Kelvin S-H; Lough, Alan J; Stephan, Douglas W
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	17
Pages of publication	2335 - 2337
a	9.146 ± 0.0018 Å
b	13.313 ± 0.003 Å
c	16.843 ± 0.003 Å
α	81.44 ± 0.03°
β	77.24 ± 0.03°
γ	76.04 ± 0.03°
Cell volume	1931.2 ± 0.7 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 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	0.1576
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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