Information card for entry 4032590

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• SMILES: O(C)c1c(OC)c2c(C(c3ccc(OC)cc3)C(=C2)C)cc1
• Title of publication: Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.
• Authors of publication: Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 7077 - 7084
• a: 7.624 ± 0.0007 Å
• b: 23.566 ± 0.002 Å
• c: 8.4581 ± 0.0007 Å
• α: 90°
• β: 93.5 ± 0.005°
• γ: 90°
• Cell volume: 1516.8 ± 0.2 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: 0.0531
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No