Information card for entry 4310430

Structure parameters

• Formula: C23 H24 Cl N2 P
• Calculated formula: C23 H24 Cl N2 P
• SMILES: ClP(=NC(=N\C(C)(C)C)/c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy
• Authors of publication: Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 802 - 811
• a: 9.67 ± 0.0002 Å
• b: 10.502 ± 0.0002 Å
• c: 10.612 ± 0.0002 Å
• α: 98.504 ± 0.0012°
• β: 91.003 ± 0.0012°
• γ: 106.582 ± 0.0011°
• Cell volume: 1019.49 ± 0.04 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No