Information card for entry 7154529

Structure parameters

• Chemical name: bypro179a
• Formula: C20 H24 Br N O2
• Calculated formula: C20 H24 Br N O2
• SMILES: Brc1ccc(C(=O)N2[C@@H]3CC[C@@H]4C[C@H](CC(=O)[C@]34CCC2)C)cc1
• Title of publication: The first asymmetric total synthesis of lycoposerramine-R.
• Authors of publication: Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 7762 - 7771
• a: 7.77818 ± 0.00014 Å
• b: 13.158 ± 0.0003 Å
• c: 16.9759 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.4 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No