Information card for entry 7052306

Structure parameters

• Formula: C22 H44 N4 O4 P2
• Calculated formula: C22 H44 N4 O4 P2
• SMILES: P12(N(P(N1C(C)(C)C)NC(C)(C)C)C(C)(C)C)N(C(C)(C)C)C(=O)C(OC)C=2C(=O)OC
• Title of publication: Structure and reactivity of tautomeric forms of zwitterionic species from the reaction of phosphorus(iii) compounds with electron deficient alkenes and alkynes
• Authors of publication: Bhuvan Kumar, N. N.; Chakravarty, Manab; Kumara Swamy, K. C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 1614
• a: 17.7038 ± 0.0018 Å
• b: 9.5956 ± 0.001 Å
• c: 17.7697 ± 0.0018 Å
• α: 90°
• β: 106.53 ± 0.002°
• γ: 90°
• Cell volume: 2893.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No