Information card for entry 1542442

Structure parameters

• Formula: C18 H20 O
• Calculated formula: C18 H20 O
• SMILES: c1ccccc1C(=C)c1c(c(c(cc1C)OC)C)C
• Title of publication: Catalytic Selenium-Promoted Intermolecular Friedel-Crafts Alkylation with Simple Alkenes.
• Authors of publication: Tang, E.; Zhao, Yinjiao; Li, Wen; Wang, Weilin; Zhang, Meng; Dai, Xin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 912
• a: 7.3183 ± 0.0011 Å
• b: 10.0305 ± 0.0015 Å
• c: 10.947 ± 0.0017 Å
• α: 69.766 ± 0.002°
• β: 77.72 ± 0.002°
• γ: 85.037 ± 0.002°
• Cell volume: 736.66 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No