Information card for entry 7027980

Structure parameters

• Formula: C26 H21 P
• Calculated formula: C26 H21 P
• SMILES: P(c1ccccc1)(c1ccccc1)C(=C\c1ccccc1)\c1ccccc1
• Title of publication: Stereoselective addition of diphenylphosphine to substituted diphenylethynes: synthetic, NMR and X-ray crystallographic studies
• Authors of publication: Bookham, Jonathan L.; Smithies, Darren M.; Wright, Anna; Thornton-Pett, Mark; McFarlane, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 5
• Pages of publication: 811
• a: 12.2602 ± 0.0006 Å
• b: 6.0689 ± 0.0003 Å
• c: 27.289 ± 0.002 Å
• α: 90°
• β: 100.484 ± 0.005°
• γ: 90°
• Cell volume: 1996.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No