Information card for entry 2010539

Structure parameters

• Common name: 2,2'-bis(4,4-diphenyl-2,5-cyclohexadienone)diselenide
• Chemical name: 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)
• Formula: C36 H26 O2 Se2
• Calculated formula: C36 H26 O2 Se2
• SMILES: C1(=O)C(=CC(C=C1)(c1ccccc1)c1ccccc1)[Se][Se]C1=CC(C=CC1=O)(c1ccccc1)c1ccccc1
• Title of publication: 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)
• Authors of publication: Senthil Kumar, V. S.; Nangia, Ashwini; 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 123 - 124
• a: 17.4144 ± 0.0016 Å
• b: 10.6767 ± 0.001 Å
• c: 15.2187 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2829.6 ± 0.5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes