Information card for entry 2231121

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-2-hydroxy-4- methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate
• Formula: C16 H23 N3 O6
• Calculated formula: C16 H23 N3 O6
• SMILES: Oc1c(ccc(OC)c1)C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)CO
• Title of publication: <i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(<i>E</i>)-2-hydroxy-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate
• Authors of publication: Wardell, James L.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1888 - o1889
• a: 5.3101 ± 0.0014 Å
• b: 5.7301 ± 0.0013 Å
• c: 14.651 ± 0.004 Å
• α: 80.364 ± 0.016°
• β: 84.788 ± 0.011°
• γ: 74.845 ± 0.015°
• Cell volume: 423.7 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes