Information card for entry 7239049

Structure parameters

• Formula: C18 H22 O3
• Calculated formula: C18 H22 O3
• Title of publication: Metal triflate-catalyzed cyclization of arylvinylcarbinols: formal synthesis of (±)-dichroanone and (±)-taiwaniaquinone H
• Authors of publication: Kakde, Badrinath N.; De, Subhadip; Dey, Dhananjay; Bisai, Alakesh
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 22
• Pages of publication: 8176
• a: 8.0057 ± 0.0015 Å
• b: 19.331 ± 0.004 Å
• c: 9.6263 ± 0.0016 Å
• α: 90°
• β: 95.807 ± 0.011°
• γ: 90°
• Cell volume: 1482.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0805
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No