Information card for entry 2016659

Structure parameters

• Chemical name: ethyl <i>tert</i>-butyl 2-(triphenylphosphoranyliden)malonate
• Formula: C27 H29 O4 P
• Calculated formula: C27 H29 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: 8.9616 ± 0.0007 Å
• b: 10.3589 ± 0.0008 Å
• c: 14.5644 ± 0.0011 Å
• α: 97.388 ± 0.002°
• β: 107.705 ± 0.003°
• γ: 105.338 ± 0.002°
• Cell volume: 1209.55 ± 0.16 ų
• Cell temperature: 140 ± 5 K
• Ambient diffraction temperature: 140 ± 5 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: 0.0672
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes