Information card for entry 4312896

Structure parameters

• Formula: C27 H30 N5 O2 P
• Calculated formula: C27 H30 N5 O2 P
• SMILES: C1(=NP(=NC(=N1)N(C)C)(Oc1ccc(cc1)c1ccc(cc1)C=C)Oc1cc(ccc1)C)N(C)C
• Title of publication: Pendant Cyclodicarbaphosphazatriene-Containing Monomers and Polymers: Synthesis, Crystal Structures and Polymerization Behavior of [NC(NMe2)]2[NP(O-C6H4-p-C6H4-p-CHCH2)(X)], X = Cl, OCH2CF3, OC6H5, OC6H4-m-CH3, OC6H4-p-Br
• Authors of publication: Vadapalli Chandrasekhar; Arunachalampillai Athimoolam; Narreddula Dastagiri Reddy; Selvarajan Nagendran; Alexander Steiner; Stefano Zacchini; Raymond Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 51 - 59
• a: 21.473 ± 0.004 Å
• b: 8.8677 ± 0.0018 Å
• c: 13.118 ± 0.003 Å
• α: 90°
• β: 93.1 ± 0.03°
• γ: 90°
• Cell volume: 2494.2 ± 0.9 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: 0.0905
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No