Information card for entry 7213443

Structure parameters

• Formula: C19 H22 O2
• Calculated formula: C19 H22 O2
• SMILES: c1ccccc1[C@H]1[C@H]([C@@](C(C)(C)C)(c2ccccc2)O)O1
• Title of publication: Synthesis and reactions of some optically active epoxides formally derived from tertiary allylic alcohols
• Authors of publication: Bickley, Jamie F.; Gillmore, Adam T.; Roberts, Stanley M.; Skidmore, John; Steiner, Alexander
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1109
• a: 18.759 ± 0.002 Å
• b: 18.759 ± 0.002 Å
• c: 12.252 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3733.9 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No