Crystallography Open Database

Information card for entry 2007889

2007888 << 2007889 >> 2007890

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Structure parameters

Chemical name	di(2,4,6-triisopropylphenyl)diselenide
Formula	C30 H46 Se2
Calculated formula	C30 H46 Se2
SMILES	[Se]([Se]c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide
Authors of publication	Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	12
Pages of publication	1873 - 1875
a	15.177 ± 0.003 Å
b	22.357 ± 0.004 Å
c	17.653 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5990 ± 2 Å³
Cell temperature	178 ± 2 K
Ambient diffraction temperature	178 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for all reflections	0.1033
Weighted residual factors for significantly intense reflections	0.0817
Goodness-of-fit parameter for all reflections	0.952
Goodness-of-fit parameter for significantly intense reflections	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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