Crystallography Open Database

Information card for entry 4102093

4102092 << 4102093 >> 4102094

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Structure parameters

Formula	C37 H35 P
Calculated formula	C37 H35 P
SMILES	P(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C(c1ccccc1)c1ccccc1
Title of publication	Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates
Authors of publication	Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3691 - 3693
a	9.7154 ± 0.0004 Å
b	11.6798 ± 0.0005 Å
c	14.9702 ± 0.0006 Å
α	97.349 ± 0.001°
β	107.577 ± 0.001°
γ	110.254 ± 0.001°
Cell volume	1467.07 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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