Information card for entry 7157843

Structure parameters

• Formula: C15 H16 O
• Calculated formula: C15 H16 O
• Title of publication: Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones.
• Authors of publication: Samser, Shaikh; Biswal, Priyabrata; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1386 - 1394
• a: 8.9714 ± 0.0015 Å
• b: 6.6608 ± 0.0007 Å
• c: 19.405 ± 0.003 Å
• α: 90°
• β: 98.551 ± 0.015°
• γ: 90°
• Cell volume: 1146.7 ± 0.3 ų
• Cell temperature: 114 ± 1 K
• Ambient diffraction temperature: 114 ± 1 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: 0.1201
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2919
• Weighted residual factors for all reflections included in the refinement: 0.319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No