Information card for entry 7154868

Structure parameters

• Formula: C26 H27 O2 P
• Calculated formula: C26 H27 O2 P
• SMILES: P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C(C(=O)C1CCOCC1)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: 11.829 ± 0.003 Å
• b: 11.011 ± 0.003 Å
• c: 16.248 ± 0.004 Å
• α: 90°
• β: 93.341 ± 0.007°
• γ: 90°
• Cell volume: 2112.7 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.041
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No