Information card for entry 4319041

Structure parameters

• Formula: C23 H28 N3 P3
• Calculated formula: C23 H28 N3 P3
• SMILES: P1(=NP(=NP(=N1)(CC)c1ccccc1)(CC)c1ccccc1)(C)c1ccccc1
• Title of publication: Deprotonation-Substitution Reactions of Cyclic Methylphenylphosphazenes: Synthesis and Structures of Nongeminal P-Ethyl, P-Phenyl Cyclotriphosphazenes
• Authors of publication: June-Ho Jung; Hongming Zhang; Patty Wisian-Neilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6720 - 6725
• a: 10.276 ± 0.002 Å
• b: 10.699 ± 0.002 Å
• c: 11.925 ± 0.002 Å
• α: 72.07 ± 0.02°
• β: 73.79 ± 0.01°
• γ: 85.87 ± 0.02°
• Cell volume: 1197.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No