Information card for entry 7160782

Structure parameters

• Formula: C31 H29 Cl Mo O2 P2
• Calculated formula: C31 H29 Cl Mo O2 P2
• Title of publication: A molybdenum-catalyzed acceptorless dehydrogenative approach for quinoline synthesis using amino alcohol.
• Authors of publication: Atreya, Vaishnavi; Sil, Anirban; Sil, Debangsu; Chakraborty, Subrata
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 44
• Pages of publication: 10118 - 10126
• a: 11.314 ± 0.004 Å
• b: 17.847 ± 0.006 Å
• c: 14.475 ± 0.005 Å
• α: 90°
• β: 106.533 ± 0.01°
• γ: 90°
• Cell volume: 2802 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No