Information card for entry 2011744

Structure parameters

• Chemical name: Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate
• Formula: C24 H23 O3 P
• Calculated formula: C24 H23 O3 P
• Title of publication: Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation
• Authors of publication: Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 180 - 184
• a: 14.815 ± 0.004 Å
• b: 16.226 ± 0.005 Å
• c: 17.67 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4248 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes