Information card for entry 7121852

Structure parameters

• Formula: C28 H28 O
• Calculated formula: C28 H28 O
• Title of publication: A catalytic allylic cation-induced intermolecular allylation-semipinacol rearrangement.
• Authors of publication: Xu, Ming-Hui; Dai, Kun-Long; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 55
• Pages of publication: 7685 - 7688
• a: 18.308 ± 0.0005 Å
• b: 19.0516 ± 0.0006 Å
• c: 6.2276 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2172.17 ± 0.11 ų
• Cell temperature: 292.6 ± 0.5 K
• Ambient diffraction temperature: 292.6 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No