Information card for entry 4032588

Structure parameters

• Formula: C30 H25 F O2
• Calculated formula: C30 H25 F O2
• SMILES: Fc1ccc(C2c3c(c4ccc(c5ccccc5)cc4)cc(OC)c(OC)c3C=CC2)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: 11.399 ± 0.002 Å
• b: 11.51 ± 0.002 Å
• c: 19.44 ± 0.004 Å
• α: 74.294 ± 0.004°
• β: 85.627 ± 0.005°
• γ: 65.942 ± 0.004°
• Cell volume: 2240.4 ± 0.7 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No