Information card for entry 4027508

Structure parameters

• Formula: C17 H25 N O5
• Calculated formula: C17 H25 N O5
• SMILES: [C@H]1([C@@H]([C@@H]([C@@H](CO)N1Cc1ccccc1)O)O)C(=O)OC(C)(C)C
• Title of publication: Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine
• Authors of publication: Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7988 - 7999
• a: 5.6966 ± 0.0001 Å
• b: 15.5167 ± 0.0004 Å
• c: 19.3507 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1710.46 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0312
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No