Information card for entry 2001921

Structure parameters

• Formula: C13 H11 F3 N2 O4
• Calculated formula: C13 H11 F3 N2 O4
• SMILES: O=C(C(F)(F)F)NCCCON1C(=O)c2c(C1=O)cccc2
• Title of publication: Structure of <i>N</i>-(3-phthalimidooxypropyl)trifluoroacetamide
• Authors of publication: Van Meervelt, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 624 - 626
• a: 15.8 ± 0.002 Å
• b: 4.985 ± 0.001 Å
• c: 18.875 ± 0.003 Å
• α: 90°
• β: 111.21 ± 0.01°
• γ: 90°
• Cell volume: 1385.9 ± 0.4 ų
• Cell temperature: 289 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0506
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No