Information card for entry 4318540

Structure parameters

• Common name: PPHVB
• Formula: C39 H46 N13 O P3
• Calculated formula: C39 H46 N13 O P3
• SMILES: Cc1cc(C)n(n1)P1(=NP(Oc2ccc(c3ccc(C=C)cc3)cc2)(=NP(=N1)(n1nc(C)cc1C)n1c(C)cc(n1)C)n1nc(C)cc1C)n1nc(C)cc1C
• Title of publication: Pyrazolylcyclotriphosphazene Containing Pendant Polymers: Synthesis, Characterization, and Phosphate Ester Hydrolysis Using a Cu(II)-Metalated Cross-Linked Polymeric Catalyst
• Authors of publication: Vadapalli Chandrasekhar; Arunachalampillai Athimoolam; S. G. Srivatsan; P. Shanmuga Sundaram; Sandeep Verma; Alexander Steiner; Stefano Zacchini; Raymond Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5162 - 5173
• a: 18.882 ± 0.005 Å
• b: 11.813 ± 0.005 Å
• c: 19.491 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.352 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4290 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2761
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No