Information card for entry 7213426

Structure parameters

• Formula: C30 H29 N P2
• Calculated formula: C30 H29 N P2
• SMILES: P(=NP(C1CC1)c1ccccc1)(C1(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: One pot synthesis of a chiral N-phosphine substituted iminophosphorane: X-ray structure and in situ NMR study
• Authors of publication: Batsanov, Andrei S.; Davidson, Matthew G.; Fernández, Ignacio; Howard, Judith A. K.; López-Ortiz, Fernando; Price, Richard D.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4237
• a: 9.555 ± 0.001 Å
• b: 10.182 ± 0.001 Å
• c: 25.711 ± 0.002 Å
• α: 90°
• β: 98.75 ± 0.01°
• γ: 90°
• Cell volume: 2472.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1068
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections: 0.1336
• Weighted residual factors for significantly intense reflections: 0.1055
• Goodness-of-fit parameter for all reflections: 1.138
• Goodness-of-fit parameter for significantly intense reflections: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No