Information card for entry 2018185

Structure parameters

• Chemical name: diethyl 3-oxo-2-(triphenylphosphoranylidene)glutarate
• Formula: C27 H27 O5 P
• Calculated formula: C27 H27 O5 P
• Title of publication: Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups
• 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: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o319 - o323
• a: 9.0348 ± 0.001 Å
• b: 10.377 ± 0.0011 Å
• c: 13.8951 ± 0.0015 Å
• α: 95.994 ± 0.002°
• β: 108.342 ± 0.002°
• γ: 107.304 ± 0.002°
• Cell volume: 1152 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No