Information card for entry 7204275

Structure parameters

• Formula: C26 H21 O P
• Calculated formula: C26 H21 O P
• SMILES: P(=CC1=CC=CC=CC1=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes
• Authors of publication: Naya, Shin-ichi; Nitta, Makoto
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 1017
• a: 17.54 Å
• b: 17.5 Å
• c: 13.35 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4097.78 ų
• Cell temperature: 298 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: 0.0639
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No