Information card for entry 7160603

Structure parameters

• Formula: C31 H23 F2 N
• Calculated formula: C31 H23 F2 N
• Title of publication: Ruthenium-catalysed isomerisation-methylenation of allyl alcohols with methanol: a one-pot synthesis of substituted pyridines.
• Authors of publication: Biswal, Priyabrata; Pullarat, Sanu Siyad; Samser, Shaikh; Aradhyula, Basava Punna Rao; Chandrasekhar, Vadapalli; Venkatasubbaiah, Krishnan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 6931 - 6937
• a: 9.4134 ± 0.0005 Å
• b: 10.6542 ± 0.0007 Å
• c: 12.1372 ± 0.0007 Å
• α: 90.043 ± 0.005°
• β: 104.592 ± 0.005°
• γ: 106.186 ± 0.005°
• Cell volume: 1128.01 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No