Information card for entry 1506488

Structure parameters

• Formula: C20 H19 N5 O3
• Calculated formula: C20 H19 N5 O3
• SMILES: c1(N(=O)=O)ccc([C@@H]2/C(=C/[C@@H](N=N#N)CC)C(=O)N2Cc2ccccc2)cc1.c1(N(=O)=O)ccc([C@H]2/C(=C/[C@H](N=N#N)CC)C(=O)N2Cc2ccccc2)cc1
• Title of publication: Highly diastereoselective allylic azide formation and isomerization. Synthesis of 3(2'-amino)-beta-lactams.
• Authors of publication: Cardillo, Giuliana; Fabbroni, Serena; Gentilucci, Luca; Perciaccante, Rossana; Piccinelli, Fabio; Tolomelli, Alessandra
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 533 - 536
• a: 15.8947 ± 0.0012 Å
• b: 7.1605 ± 0.0006 Å
• c: 17.1209 ± 0.0013 Å
• α: 90°
• β: 100.848 ± 0.002°
• γ: 90°
• Cell volume: 1913.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No