Information card for entry 4069567

Structure parameters

• Common name: compound4b
• Formula: C72 H101 N O2 P2 Si7
• Calculated formula: C72 H101 N O2 P2 Si7
• SMILES: P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C12c3ccccc3C(c3ccccc13)[C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C12c3ccccc3C(c3ccccc13)[C@H]1[C@@H]2C(=O)N(C1=O)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: [4+2] Cycloaddition of 9-Anthryldiphosphene with Electron-Deficient Olefins: Transformation of a Diaryldiphosphene to Alkylaryldiphosphenes
• Authors of publication: Tsurusaki, Akihiro; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3604
• a: 34.142 ± 0.012 Å
• b: 34.142 ± 0.012 Å
• c: 12.635 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14728 ± 9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No