Information card for entry 2004839

Structure parameters

• Formula: C23 H34 N2 O5
• Calculated formula: C23 H34 N2 O5
• SMILES: CC(=O)O[C@]1(C)CC/C=C(C)/CCC[C@H]([C@@H]2O[C@H]1C[C@@H]1[C@H]2OC(=O)[C@]21N=NCC2)C
• Title of publication: A Pyrazoline Derivative of Eunicin Acetate
• Authors of publication: Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1272 - 1274
• a: 9.045 ± 0.001 Å
• b: 29.148 ± 0.003 Å
• c: 8.6766 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2287.5 ± 0.4 ų
• Cell temperature: 163 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 significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No