Information card for entry 7052767

Structure parameters

• Formula: C64 H76 P2
• Calculated formula: C64 H76 P2
• SMILES: P(=Cc1ccc(c2c3cc4c(cc3ccc2)cccc4c2ccc(cc2)C=Pc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)cc1)c1c(C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Role of the aromatic bridge on radical ions formation during reduction of diphosphaalkenes
• Authors of publication: Lejeune, Manuel; Grosshans, Philippe; Berclaz, Théo; Sidorenkova, Helena; Besnard, Céline; Pattison, Phil; Geoffroy, Michel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2510
• a: 9.834 ± 0.005 Å
• b: 10.871 ± 0.005 Å
• c: 25.8 ± 0.01 Å
• α: 88.42 ± 0.02°
• β: 83.77 ± 0.02°
• γ: 79.06 ± 0.02°
• Cell volume: 2692 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1263
• Diffraction radiation wavelength: 0.7 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No