Information card for entry 7154867

Structure parameters

• Formula: C31 H27 O3 P
• Calculated formula: C31 H27 O3 P
• SMILES: P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C(C(=O)C1OCCC1)C(=O)c1ccccc1
• 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: 9.9232 ± 0.0013 Å
• b: 21.836 ± 0.002 Å
• c: 11.4086 ± 0.0013 Å
• α: 90°
• β: 96.272 ± 0.004°
• γ: 90°
• Cell volume: 2457.3 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No