Crystallography Open Database

Information card for entry 7151627

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Structure parameters

Formula	C20 H26 O6 Se2
Calculated formula	C20 H26 O6 Se2
SMILES	[Se]([Se]c1ccccc1OCCOCOC)c1ccccc1OCCOCOC
Title of publication	2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.
Authors of publication	Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	2
Pages of publication	581 - 587
a	15.814 ± 0.0012 Å
b	15.1093 ± 0.0014 Å
c	18.2919 ± 0.0013 Å
α	90°
β	93.682 ± 0.009°
γ	90°
Cell volume	4361.6 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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