Information card for entry 7102963

Structure parameters

• Formula: C22 H32 O
• Calculated formula: C22 H32 O
• SMILES: [C@@H]1(C(C)(C)[C@H]2CC[C@]3(C)c4ccccc4CC[C@H]3[C@]2(C)CC1)O.[C@H]1(C(C)(C)[C@@H]2CC[C@@]3(C)c4ccccc4CC[C@@H]3[C@@]2(C)CC1)O
• Title of publication: Indium tribromide-promoted arene-terminated epoxy olefin cyclization.
• Authors of publication: Zhao, Jun-Feng; Zhao, Yu-Jun; Loh, Teck-Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1353 - 1355
• a: 46.416 ± 0.003 Å
• b: 7.2645 ± 0.0004 Å
• c: 10.9433 ± 0.0007 Å
• α: 90°
• β: 102.816 ± 0.005°
• γ: 90°
• Cell volume: 3598 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.257
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No