Information card for entry 4119394

Structure parameters

• Formula: C19 H29 Br2 N O2
• Calculated formula: C19 H29 Br2 N O2
• SMILES: BrC1(Br)[C@H]2[C@@H]3C[C@@H](C)C[C@@H]4N(C(=O)OC(C)(C)C)C[C@@H](C[C@H]34)[C@@]12C
• Title of publication: Total Syntheses of Lyconadins A-C
• Authors of publication: Takuya Nishimura; Aditya K. Unni; Satoshi Yokoshima; Tohru Fukuyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3243 - 3247
• a: 7.0399 ± 0.0003 Å
• b: 10.5694 ± 0.0003 Å
• c: 27.6019 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.79 ± 0.12 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 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: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No