Information card for entry 7109655

Structure parameters

• Formula: C37 H29 P
• Calculated formula: C37 H29 P
• SMILES: P(c1cc2ccccc2cc1C(=C(C)\c1ccccc1)\c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nickel-catalyzed manipulation of tertiary phosphines via highly selective C-P bond cleavage
• Authors of publication: Jian Cao; Xian Huang; Luling Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7747
• a: 9.8506 ± 0.0005 Å
• b: 9.3011 ± 0.0004 Å
• c: 29.8411 ± 0.0011 Å
• α: 90°
• β: 93.387 ± 0.003°
• γ: 90°
• Cell volume: 2729.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No