Information card for entry 4114480

Structure parameters

• Formula: C28 H32 N4 P4
• Calculated formula: C28 H32 N4 P4
• SMILES: C[P@]1(=N[P@@](C)(=N[P@](C)(=N[P@](C)(=N1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers
• Authors of publication: June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15537 - 15542
• a: 13.738 ± 0.001 Å
• b: 10.766 ± 0.001 Å
• c: 19.522 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2887.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.109
• 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