Information card for entry 1507521

Structure parameters

• Formula: C15 H20 O2
• Calculated formula: C15 H20 O2
• SMILES: O1[C@H]2[C@H](CC[C@@H]1C)C(Oc1ccccc21)(C)C.O1[C@@H]2[C@@H](CC[C@H]1C)C(Oc1ccccc21)(C)C
• Title of publication: Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans
• Authors of publication: Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 2669
• a: 8.9084 ± 0.0007 Å
• b: 10.0653 ± 0.0008 Å
• c: 14.7694 ± 0.0011 Å
• α: 84.534 ± 0.002°
• β: 84.355 ± 0.002°
• γ: 78.48 ± 0.002°
• Cell volume: 1287.45 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No