Information card for entry 2014219

Structure parameters

• Chemical name: 1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane
• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• SMILES: ON=C(C1CC(C1)(C)c1ccccc1)CN1C(=O)CCC1=O
• Title of publication: 1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Yılmaz, İbrahim; Çukurovalı, Alaaddin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o674 - o676
• a: 8.8356 ± 0.0007 Å
• b: 5.752 ± 0.0005 Å
• c: 30.803 ± 0.002 Å
• α: 90°
• β: 95.821 ± 0.006°
• γ: 90°
• Cell volume: 1557.4 ± 0.2 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes