Information card for entry 1508303

Structure parameters

• Formula: C27 H52 O4 Si2
• Calculated formula: C27 H52 O4 Si2
• SMILES: [C@@]123CCCO[C@@]1(C[C@@H]1C[C@H]2C[C@H]([C@]3(C1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC.[C@]123CCCO[C@]1(C[C@H]1C[C@@H]2C[C@@H]([C@@]3(C1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC
• Title of publication: Toward the total synthesis of palhinine A: expedient assembly of multifunctionalized isotwistane ring system with contiguous quaternary stereocenters.
• Authors of publication: Zhang, Guo-Biao; Wang, Fang-Xin; Du, Ji-Yuan; Qu, Hu; Ma, Xiao-Yan; Wei, Meng-Xue; Wang, Cheng-Tao; Li, Qiong; Fan, Chun-An
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3696 - 3699
• a: 11.025 ± 0.011 Å
• b: 11.69 ± 0.011 Å
• c: 13.63 ± 0.013 Å
• α: 69.352 ± 0.011°
• β: 74.86 ± 0.011°
• γ: 67.864 ± 0.011°
• Cell volume: 1506 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2678
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No