Information card for entry 1520756

Structure parameters

• Formula: C28 H44 O4 Si2
• Calculated formula: C28 H44 O4 Si2
• SMILES: [Si](c1ccccc1)([C@H]1[C@@]2([C@H]3[C@@]4([C@@H]([C@@H](OCC[Si](C)(C)C)OC4)C(=C)C[C@@H]3OC2)[C@@H](O)C1)C)(C)C
• Title of publication: Synthetic Progress toward Azadirachtins. 1. Enantio- and Diastereoselective Synthesis of the Left-Wing Fragment of 11-epi-Azadirachtin I.
• Authors of publication: Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Luo, Tuoping; Yang, Zhen
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2342 - 2345
• a: 7.702 ± 0.0001 Å
• b: 13.1321 ± 0.0002 Å
• c: 27.4999 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.4 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No