Information card for entry 4112193

Structure parameters

• Formula: C20 H46 B2 Br2 P2
• Calculated formula: C20 H46 B2 Br2 P2
• SMILES: [B]1(C(C)(C)C)([P]([B](C(C)(C)C)([P]1(C(C)C)C(C)C)Br)(C(C)C)C(C)C)Br
• 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: 13.4955 ± 0.0007 Å
• b: 15.8447 ± 0.0009 Å
• c: 11.8988 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2544.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No