Information card for entry 1504753

Structure parameters

• Chemical name: 2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl) -2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
• Formula: C20 H40 O2 Si
• Calculated formula: C20 H40 O2 Si
• SMILES: [Si](OC[C@@]1(C)[C@H](CCO)C(=C(C)C)CC[C@H]1C)(C(C)(C)C)(C)C
• Title of publication: Total synthesis and structural confirmation of ent-galbanic acid and marneral.
• Authors of publication: Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2853 - 2856
• a: 24.631 ± 0.007 Å
• b: 24.631 ± 0.007 Å
• c: 7.397 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4488 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No