Information card for entry 1546602

Structure parameters

• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: O(C)c1ccc([C@@]23OC[C@@H](O2)Cc2c3ccc(OC)c2OC)cc1.O(C)c1ccc([C@]23OC[C@H](O2)Cc2c3ccc(OC)c2OC)cc1
• Title of publication: CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.
• Authors of publication: Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1870 - 1873
• a: 24.743 ± 0.009 Å
• b: 9.58 ± 0.004 Å
• c: 7.166 ± 0.003 Å
• α: 90°
• β: 100.81 ± 0.008°
• γ: 90°
• Cell volume: 1668.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No