Information card for entry 4318498

Structure parameters

• Formula: C21 H24 N3 P3
• Calculated formula: C21 H24 N3 P3
• SMILES: [P@]1(=N[P@](=N[P@@](=N1)(C)c1ccccc1)(C)c1ccccc1)(C)c1ccccc1
• Title of publication: Reactions of N-Silylphosphoranimines with Alcohols: Synthesis and Structure of Cyclotriphosphazenes with Nongeminal Methyl and Phenyl Substituents
• Authors of publication: Patty Wisian-Neilson; Ralph S. Johnson; Hongming Zhang; June-Ho Jung; Robert H. Neilson; Junmin Ji; William H. Watson; Mariusz Krawiec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4775 - 4779
• a: 8.128 ± 0.002 Å
• b: 15.809 ± 0.003 Å
• c: 17.454 ± 0.003 Å
• α: 107.93 ± 0.01°
• β: 90.59 ± 0.02°
• γ: 91.58 ± 0.01°
• Cell volume: 2132.6 ± 0.8 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: 0.145
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections: 0.408
• Weighted residual factors for significantly intense reflections: 0.233
• Goodness-of-fit parameter for all reflections: 1.19
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No