Crystallography Open Database

Information card for entry 4118624

Preview

Coordinates	4118624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 P6
Calculated formula	C28 H28 P6
SMILES	C1P(c2ccccc2)P(P2P(CCP2c2ccccc2)c2ccccc2)P(C1)c1ccccc1
Title of publication	P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes
Authors of publication	Kai-Oliver Feldmann; Jan J. Weigand
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15443 - 15456
a	7.8833 ± 0.0009 Å
b	9.5197 ± 0.001 Å
c	9.8399 ± 0.0011 Å
α	96.954 ± 0.002°
β	102.101 ± 0.001°
γ	106.323 ± 0.001°
Cell volume	680.07 ± 0.13 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 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	0.031
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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