Information card for entry 7216887

Structure parameters

• Chemical name: 5,5'-bis(diphenylphosphino)-2,2'-bithiophene
• Formula: C32 H24 P2 S2
• Calculated formula: C32 H24 P2 S2
• SMILES: c1(ccc(s1)c1ccc(P(c2ccccc2)c2ccccc2)s1)P(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: 8.954 ± 0.002 Å
• b: 19.678 ± 0.003 Å
• c: 8.877 ± 0.002 Å
• α: 90°
• β: 117.93 ± 0.02°
• γ: 90°
• Cell volume: 1381.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0516
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No