Information card for entry 1553799

Structure parameters

• Formula: C21 H40 O3 Si
• Calculated formula: C21 H40 O3 Si
• SMILES: [Si](O[C@@H]1[C@@]2([C@@]([C@H](O)[C@@H]3C([C@@H]3CC2)(C)C)(CC1)CO)C)(C)(C)C(C)(C)C.[Si](O[C@H]1[C@]2([C@]([C@@H](O)[C@H]3C([C@H]3CC2)(C)C)(CC1)CO)C)(C)(C)C(C)(C)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: 15.7593 ± 0.0003 Å
• b: 6.7689 ± 0.0002 Å
• c: 21.0839 ± 0.0004 Å
• α: 90°
• β: 104.622 ± 0.001°
• γ: 90°
• Cell volume: 2176.24 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No