Information card for entry 1508302

Structure parameters

• Formula: C22 H40 I2 O Si
• Calculated formula: C22 H40 I2 O Si
• SMILES: [C@@H]1(C[C@@H]2C[C@@H]3[C@]1([C@@](CC3)(C2)CCCI)CCCI)O[Si](C)(C)C(C)(C)C.[C@H]1(C[C@H]2C[C@H]3[C@@]1([C@](CC3)(C2)CCCI)CCCI)O[Si](C)(C)C(C)(C)C
• 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: 12.045 ± 0.005 Å
• b: 12.17 ± 0.005 Å
• c: 18.967 ± 0.008 Å
• α: 74.718 ± 0.004°
• β: 73.818 ± 0.004°
• γ: 89.647 ± 0.004°
• Cell volume: 2569 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1786
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No