Crystallography Open Database

Information card for entry 2204224

2204223 << 2204224 >> 2204225

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Structure parameters

Chemical name	2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-diselenabicyclo[4.1.1]octane 7,8-dioxide
Formula	C22 H26 O2 Se2
Calculated formula	C22 H26 O2 Se2
SMILES	[Se]1(=O)C2([Se](=O)C1(C(CCC2(C)C)(C)C)c1ccccc1)c1ccccc1
Title of publication	2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-diselenabicyclo[4.1.1]octane 7,8-dioxide
Authors of publication	Meng-Xin Ding; Bing Ma; Ran Zhu; Hai-Tao Sha; Ji Shao; Xin Sheng
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	o1458 - o1459
a	9.193 ± 0.0018 Å
b	17.752 ± 0.004 Å
c	12.779 ± 0.003 Å
α	90°
β	103.43 ± 0.03°
γ	90°
Cell volume	2028.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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