Information card for entry 7026973

Structure parameters

• Formula: C28 H42 O2 Se
• Calculated formula: C28 H40 O2 Se
• Title of publication: Aerial oxidation of primary alcohols and amines catalyzed by Cu(II) complexes of 2,2'-selenobis(4,6-di-tert-butylphenol) providing [O,Se,O]-donor atoms
• Authors of publication: Paine, Tapan K.; Weyhermüller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 2092 - 2101
• a: 10.641 ± 0.002 Å
• b: 24.267 ± 0.005 Å
• c: 10.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.1167
• Goodness-of-fit parameter for all reflections: 0.953
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No