Information card for entry 7052225

Structure parameters

• Formula: C32 H43 N4 O6 P
• Calculated formula: C32 H43 N4 O6 P
• SMILES: P12(Oc3c(cc(cc3Cc3c(O1)c(C(C)(C)C)cc(c3)C)C)C(C)(C)C)(OC(=NN2C(=O)OCC)OCC)n1nccc1
• Title of publication: Structurally diverse penta- and hexacoordinate phosphorus compounds from the reaction of diethyl or diisopropyl azodicarboxylates with phosphorus(iii) compounds
• Authors of publication: Kumar, K. V. P. Pavan; Kumar, N. Satish; Kumara Swamy, K. C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 717
• a: 9.4608 ± 0.0012 Å
• b: 17.042 ± 0.002 Å
• c: 20.513 ± 0.003 Å
• α: 90°
• β: 98.124 ± 0.002°
• γ: 90°
• Cell volume: 3274.1 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No