Information card for entry 1504215

Structure parameters

• Common name: NIS170C5
• Formula: C27 H40 O7 Si
• Calculated formula: C27 H40 O7 Si
• SMILES: [C@]1(C(=O)[C@@]23[C@@]4(C(=O)C([C@H](CC4)O[Si](C)(C)C(C)(C)C)(C)C)COC(=O)[C@@H]2C[C@@H]1C=C3)(C)OC(=O)C
• Title of publication: A synthesis of the carbon skeleton of maoecrystal V.
• Authors of publication: Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4774 - 4776
• a: 27.8634 ± 0.0011 Å
• b: 7.012 ± 0.0002 Å
• c: 18.3625 ± 0.0007 Å
• α: 90°
• β: 129.332 ± 0.002°
• γ: 90°
• Cell volume: 2774.98 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No