Information card for entry 4027507

Structure parameters

• Formula: C13 H19 N O4
• Calculated formula: C13 H19 N O4
• SMILES: [C@H]1([C@H]([C@@H]([C@@H](CO)N1Cc1ccccc1)O)O)CO
• 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: 9.6958 ± 0.0006 Å
• b: 6.1371 ± 0.0004 Å
• c: 10.4129 ± 0.0006 Å
• α: 90°
• β: 92.587 ± 0.001°
• γ: 90°
• Cell volume: 618.98 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.505
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No