Information card for entry 4035656

Structure parameters

• Formula: C41 H66 N2 O7 S Si2
• Calculated formula: C41 H66 N2 O7 S Si2
• SMILES: S(=O)(=O)(N1CCC[C@@H](O[Si](C(C)(C)C)(C)C)[C@@]2([C@H](CCOCc3ccccc3)C=C(C[C@H]2O[Si](C)(C(C)(C)C)C)C)CCC1)c1c(N(=O)=O)cccc1.S(=O)(=O)(N1CCC[C@H](O[Si](C(C)(C)C)(C)C)[C@]2([C@@H](CCOCc3ccccc3)C=C(C[C@@H]2O[Si](C)(C(C)(C)C)C)C)CCC1)c1c(N(=O)=O)cccc1
• Title of publication: Toward a Synthesis of Fawcettimine-Type Lycopodium Alkaloids: Stereocontrolled Synthesis of a Functionalized Azaspirocycle Precursor.
• Authors of publication: Huang, Wen-Yu; Nishikawa, Toshio; Nakazaki, Atsuo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 18
• Pages of publication: 11108 - 11117
• a: 14.8638 ± 0.0003 Å
• b: 15.2757 ± 0.0003 Å
• c: 38.7031 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8787.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No