Information card for entry 2208773

Structure parameters

• Common name: N-(2-phenethyl)phthalimide
• Chemical name: 2-phenethylisoindoline-1,3-dione
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: C1(=O)c2c(C(=O)N1CCc1ccccc1)cccc2
• Title of publication: <i>N</i>-(2-Phenethyl)phthalimide
• Authors of publication: Warzecha, Klaus-Dieter; Lex, Johann; Neudörfl, Jörg M.; Griesbeck, Axel G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1580 - o1581
• a: 28.3243 ± 0.0009 Å
• b: 11.4545 ± 0.0003 Å
• c: 7.668 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2487.81 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes