Information card for entry 7151626

Structure parameters

• Formula: C16 H18 O4 Se2
• Calculated formula: C16 H18 O4 Se2
• SMILES: C(CO)Oc1c([Se][Se]c2ccccc2OCCO)cccc1
• 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: 18.124 ± 0.0013 Å
• b: 18.124 ± 0.0013 Å
• c: 9.8424 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3233 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No