Information card for entry 2203074

Structure parameters

• Chemical name: 1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane
• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• SMILES: O=C1N(C(=O)c2ccccc12)CC(=O)C1CC(C1)(C)c1ccccc1
• Title of publication: 1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane
• 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: o14 - o16
• a: 9.1755 ± 0.0009 Å
• b: 9.4488 ± 0.0007 Å
• c: 19.7807 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes