Information card for entry 1503035

Structure parameters

• Formula: C24 H40 O3 Si
• Calculated formula: C24 H40 O3 Si
• SMILES: [Si](O[C@H]1CCC(C)(C[C@@]21[C@@]13CC[C@@H]4C[C@@]3(C(=O)OC2)[C@H]1C4)C)(C(C)(C)C)(C)C.[Si](O[C@@H]1CCC(C)(C[C@]21[C@]13CC[C@H]4C[C@]3(C(=O)OC2)[C@@H]1C4)C)(C(C)(C)C)(C)C
• Title of publication: A synthesis of the carbocyclic core of maoecrystal V.
• Authors of publication: Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3010 - 3013
• a: 20.0329 ± 0.0005 Å
• b: 6.5664 ± 0.0002 Å
• c: 17.1418 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2254.9 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No