Information card for entry 7102964

Structure parameters

• Formula: C23 H34 O
• Calculated formula: C23 H34 O
• SMILES: [C@@H]1(CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CCc2c1ccc(C)c2)O.[C@H]1(CC[C@]2(C)[C@@H](C1(C)C)CC[C@@]1(C)[C@H]2CCc2c1ccc(C)c2)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: 10.9577 ± 0.0003 Å
• b: 7.2339 ± 0.0002 Å
• c: 46.7378 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3704.76 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No