Information card for entry 4032591

Structure parameters

• Formula: C20 H21 F O2
• Calculated formula: C20 H21 F O2
• SMILES: Fc1ccc([C@H]2c3c(c(OC(C)C)c(OC)cc3)C=C2C)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: 8.1071 ± 0.0006 Å
• b: 9.3064 ± 0.0007 Å
• c: 22.2481 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No