Information card for entry 2203062

Structure parameters

• Chemical name: 2-[2-Hydroxyimino-2-(3-methyl-3-phenylcyclobutyl)ethyl]isoindole-1,3-dione
• Formula: C21 H20 N2 O3
• Calculated formula: C21 H20 N2 O3
• SMILES: ON=C(/[C@@H]1C[C@](C1)(C)c1ccccc1)\CN1C(=O)c2c(C1=O)cccc2.ON=C(/[C@H]1C[C@@](C1)(C)c1ccccc1)\CN1C(=O)c2c(C1=O)cccc2
• Title of publication: 2-[2-Hydroxyimino-2-(3-methyl-3-phenylcyclobutyl)ethyl]isoindole-1,3-dione
• Authors of publication: Özdemir, Namık; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o145 - o147
• a: 14.6497 ± 0.0014 Å
• b: 5.6976 ± 0.0003 Å
• c: 21.965 ± 0.002 Å
• α: 90°
• β: 109.095 ± 0.007°
• γ: 90°
• Cell volume: 1732.5 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes