Information card for entry 7133255

Structure parameters

• Formula: C50 H36 O2
• Calculated formula: C50 H36 O2
• Title of publication: ZnCl₂-catalysed transfer hydrogenation of carbonyls and chemoselective reduction of the CC bond in α,β-unsaturated ketones.
• Authors of publication: Sheokand, Sonu; Sharma, Sunita; Mohite, Manali A.; Rajaraman, Gopalan; Balakrishna, Maravanji S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 60
• Pages of publication: 7733 - 7736
• a: 17.155 ± 0.004 Å
• b: 10.5253 ± 0.0019 Å
• c: 19.426 ± 0.003 Å
• α: 90°
• β: 91.508 ± 0.007°
• γ: 90°
• Cell volume: 3506.4 ± 1.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 3
• 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: 0.1381
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No