Crystallography Open Database

Information card for entry 4105036

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Structure parameters

Chemical name	(E)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacen-4-yl)- 2-(2- anthryl)phosphasilene tetrahydrofuran solvate
Formula	C74 H107 O P Si
Calculated formula	C74 H107 O P Si
SMILES	P(=[Si](/c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC)c1cc2c(cc1)cc1ccccc1c2)\c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC.O1CCCC1
Title of publication	π-Conjugated Phosphasilenes Stabilized by Fused-Ring Bulky Groups
Authors of publication	Baolin Li; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	13222 - 13223
a	13.7835 ± 0.0003 Å
b	14.4694 ± 0.0004 Å
c	16.12 ± 0.0005 Å
α	92.9717 ± 0.0015°
β	94.968 ± 0.0011°
γ	101.214 ± 0.0011°
Cell volume	3133.96 ± 0.15 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0918
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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