Information card for entry 4112188

Structure parameters

• Formula: C20 H46 B2 Cl2 P2
• Calculated formula: C20 H46 B2 Cl2 P2
• SMILES: [B]1(Cl)(C(C)(C)C)[P](C(C)C)(C(C)C)[B](Cl)(C(C)(C)C)[P]1(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: 10.2338 ± 0.0012 Å
• b: 18.178 ± 0.002 Å
• c: 14.1118 ± 0.0016 Å
• α: 90°
• β: 104.991 ± 0.002°
• γ: 90°
• Cell volume: 2535.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No