Information card for entry 7154536

Structure parameters

• Formula: C34 H26 O3 P2
• Calculated formula: C34 H26 O3 P2
• SMILES: P1(=O)(C(=C(c2ccccc12)c1ccc(cc1)C(=O)C)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Ag-mediated cascade decarboxylative coupling and annulation: a convenient route to 2-phosphinobenzo[b]phosphole oxides.
• Authors of publication: Hu, Gaobo; Zhang, Yun; Su, Jue; Li, Zezhou; Gao, Yuxing; Zhao, Yufen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 8221 - 8231
• a: 10.554 ± 0.002 Å
• b: 12.782 ± 0.003 Å
• c: 12.959 ± 0.003 Å
• α: 79.295 ± 0.004°
• β: 67.9 ± 0.004°
• γ: 76.462 ± 0.004°
• Cell volume: 1565.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No