Information card for entry 7052307

Structure parameters

• Formula: C31 H53 N5 O2 P2
• Calculated formula: C31 H53 N5 O2 P2
• 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: 9.7355 ± 0.0006 Å
• b: 11.2481 ± 0.0006 Å
• c: 17.0595 ± 0.001 Å
• α: 92.455 ± 0.001°
• β: 105.381 ± 0.001°
• γ: 93.314 ± 0.001°
• Cell volume: 1794.91 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No