Information card for entry 1502218

Structure parameters

• Formula: C30 H43 O3 Si
• Calculated formula: C30 H43 O3 Si
• SMILES: [Si](O[C@H]1CC[C@@]2([C@@H]3[C@H](C4=C2[C@@H]1[C@H]1[C@H]([C@]2([C@H]5[C@@H]([C@@](O)(C2=CC1=O)C)C5)C)C4)C3)C)(C)(C)C(C)(C)C.[Si](O[C@@H]1CC[C@]2([C@H]3[C@@H](C4=C2[C@H]1[C@@H]1[C@@H]([C@@]2([C@@H]5[C@H]([C@](O)(C2=CC1=O)C)C5)C)C4)C3)C)(C)(C)C(C)(C)C
• Title of publication: A concise construction of the chlorahololide heptacyclic core.
• Authors of publication: Lu, Yin-Suo; Peng, Xiao-Shui
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 2940 - 2943
• a: 16.731 ± 0.008 Å
• b: 12.758 ± 0.006 Å
• c: 13.573 ± 0.006 Å
• α: 90°
• β: 104.046 ± 0.01°
• γ: 90°
• Cell volume: 2811 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No