Information card for entry 7203918

Structure parameters

• Chemical name: triphenylphosphonium benzylide
• Formula: C25 H21 P
• Calculated formula: C25 H21 P
• Title of publication: Bonding in phosphorus ylides: topological analysis of experimental charge density distribution in triphenylphosphonium benzylide †
• Authors of publication: Yufit, Dmitrii S.; Howard, Judith A. K.; Davidson, Matthew G.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 249
• a: 9.397 ± 0.001 Å
• b: 10.968 ± 0.001 Å
• c: 18.397 ± 0.001 Å
• α: 90°
• β: 91.52 ± 0.01°
• γ: 90°
• Cell volume: 1895.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No