Information card for entry 7110722

Structure parameters

• Common name: [C2tBu2P2NPh]
• Formula: C16 H23 N P2
• Calculated formula: C16 H23 N P2
• SMILES: P1=C(N(P=C1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Synthetic, structural and theoretical studies on new aromatic 1,2,4-azadiphosphole ring systems: crystal and molecular structure of P2C2But2NPh
• Authors of publication: Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Nixon, John F.; James Wilson, D.; Tabellion, Frank; Fischbeck, Uwe; Preuss, Fritz; Regitz, Manfred
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2363
• a: 26.96 ± 0.005 Å
• b: 5.916 ± 0.002 Å
• c: 10.299 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.086
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No