Information card for entry 4026758

Structure parameters

• Formula: C13 H15 N3 O2
• Calculated formula: C13 H15 N3 O2
• SMILES: N12N([C@H](C=CC1)COC2)C(=O)Nc1ccccc1
• Title of publication: Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.
• Authors of publication: M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9584 - 9592
• a: 9.4472 ± 0.0012 Å
• b: 10.9829 ± 0.0014 Å
• c: 11.0176 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1143.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0348
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No