Information card for entry 7154869

Structure parameters

• Formula: C28 H29 O5 P
• Calculated formula: C28 H29 O5 P
• SMILES: P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C(C(=O)OCC)C(=O)[C@@H]1OC(OC1)(C)C
• Title of publication: Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.
• Authors of publication: Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1794 - 1804
• a: 9.345 ± 0.004 Å
• b: 10.512 ± 0.003 Å
• c: 14.341 ± 0.004 Å
• α: 98.497 ± 0.002°
• β: 106.816 ± 0.011°
• γ: 110.513 ± 0.008°
• Cell volume: 1213.3 ± 0.7 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No