Information card for entry 1553803

Structure parameters

• Formula: C21 H38 O3 Si
• Calculated formula: C21 H38 O3 Si
• SMILES: OC[C@@]12[C@@](CC[C@H]3[C@@H](C1=O)C3(C)C)([C@H](O[Si](C)(C)C(C)(C)C)CC2)C.OC[C@]12[C@](CC[C@@H]3[C@H](C1=O)C3(C)C)([C@@H](O[Si](C)(C)C(C)(C)C)CC2)C
• Title of publication: Gold(i)-catalyzed access to neomerane skeletons
• Authors of publication: Tugny, Coralie; Khaled, Omar; Derat, Etienne; Goddard, Jean-Philippe; Mouriès-Mansuy, Virginie; Fensterbank, Louis
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 1906
• a: 15.0743 ± 0.0003 Å
• b: 6.8149 ± 0.0001 Å
• c: 21.2545 ± 0.0004 Å
• α: 90°
• β: 92.709 ± 0.001°
• γ: 90°
• Cell volume: 2181.03 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No