Information card for entry 7216889

Structure parameters

• Chemical name: Diphenyl[5-(2'-{6'-diphenylphosphino}pyridyl)-2-thienyl]phosphine
• Formula: C33 H25 N P2 S
• Calculated formula: C33 H25 N P2 S
• SMILES: P(c1sc(cc1)c1nc(P(c2ccccc2)c2ccccc2)ccc1)(c1ccccc1)c1ccccc1
• Title of publication: Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3352
• a: 8.408 ± 0.005 Å
• b: 15.978 ± 0.006 Å
• c: 20.402 ± 0.007 Å
• α: 90°
• β: 101.11 ± 0.04°
• γ: 90°
• Cell volume: 2689 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No