Information card for entry 4034345

Structure parameters

• Formula: C23 H29 F3 N2 O9 S2
• Calculated formula: C23 H29 F3 N2 O9 S2
• SMILES: S(=O)(=O)(N1CC[C@H](O)C2=C(OS(=O)(=O)C(F)(F)F)C[C@@H]3C[C@@H](C[C@H](O)[C@]23CCC1)C)c1c(N(=O)=O)cccc1
• Title of publication: Asymmetric Total Synthesis of Fawcettimine-Type Lycopodium Alkaloid, Lycopoclavamine-A.
• Authors of publication: Kaneko, Hiroki; Takahashi, Shunsuke; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5645 - 5654
• a: 14.4545 ± 0.0004 Å
• b: 14.4545 ± 0.0004 Å
• c: 11.1066 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2009.64 ± 0.11 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1971
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.369
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No