Information card for entry 4112190

Structure parameters

• Formula: C20 H46 B2 P2 Se
• Calculated formula: C20 H46 B2 P2 Se
• SMILES: [Se]1[B]2(C(C)(C)C)[P]([B]1(C(C)(C)C)[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl
• Authors of publication: Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1344 - 1345
• a: 10.2819 ± 0.0012 Å
• b: 10.5595 ± 0.0012 Å
• c: 13.0748 ± 0.0015 Å
• α: 77.516 ± 0.002°
• β: 72.12 ± 0.002°
• γ: 67.15 ± 0.002°
• Cell volume: 1237.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No