Information card for entry 4111330

Structure parameters

• Formula: C29 H38 O2
• Calculated formula: C29 H38 O2
• SMILES: CC(=O)C[C@H](C)O[C@@H](c1ccccc1)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CCc1c2cccc1
• Title of publication: Lewis Acid-Promoted Intermolecular Acetal-Initiated Cationic Polyene Cyclizations
• Authors of publication: Yu-Jun Zhao; Shu-Sin Chng; Teck-Peng Loh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 492 - 493
• a: 7.7608 ± 0.0003 Å
• b: 13.4612 ± 0.0004 Å
• c: 23.7464 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.78 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No