Information card for entry 4020918

Structure parameters

• Formula: C19 H24 N2 O6 S
• Calculated formula: C19 H24 N2 O6 S
• SMILES: S1(=O)(=O)N([C@H]2[C@@]3(CC[C@H](C2)C3(C)C)C1)C(=O)[C@@H](O)[C@H](N(=O)=O)c1ccccc1
• Title of publication: Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate
• Authors of publication: Iwona Kudyba; Jerzy Raczko; Janusz Jurczak
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2844 - 2850
• a: 7.409 ± 0.001 Å
• b: 14.055 ± 0.003 Å
• c: 19.276 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1105
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No