Information card for entry 2016656

Structure parameters

• Chemical name: methyl isopropyl 2-(triphenylphosphoranyliden)malonate
• Formula: C25 H25 O4 P
• Calculated formula: C25 H25 O4 P
• Title of publication: Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl <i>tert</i>-butyl, and ethyl <i>tert</i>-butyl 2-(triphenylphosphoranylidene)malonate
• Authors of publication: Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o405 - o410
• a: 9.8033 ± 0.0006 Å
• b: 10.4492 ± 0.0007 Å
• c: 11.2169 ± 0.0007 Å
• α: 100.573 ± 0.002°
• β: 94.878 ± 0.002°
• γ: 102.446 ± 0.003°
• Cell volume: 1093.64 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes