Information card for entry 7052304

Structure parameters

• Formula: C20 H42 N4 O2 P2
• Calculated formula: C20 H42 N4 O2 P2
• SMILES: P1(N(P(N1C(C)(C)C)NC(C)(C)C)C(C)(C)C)(=NC(C)(C)C)/C=C/C(=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: 18.0981 ± 0.0011 Å
• b: 9.9666 ± 0.0006 Å
• c: 16.1701 ± 0.0009 Å
• α: 90°
• β: 112.87 ± 0.001°
• γ: 90°
• Cell volume: 2687.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No