Information card for entry 7239048

Structure parameters

• Formula: C20 H28 O
• Calculated formula: C20 H28 O
• 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: 6.8754 ± 0.0003 Å
• b: 10.7487 ± 0.0005 Å
• c: 11.7991 ± 0.0006 Å
• α: 91.303 ± 0.003°
• β: 92.041 ± 0.003°
• γ: 99.15 ± 0.003°
• Cell volume: 859.97 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No