Information card for entry 2004996

Structure parameters

• Common name: 5-phthalimidoperpentanoic acid
• Chemical name: 1,3-dihydro-1,3-dioxo-2H-isoindole-2-pentaneperoxoic acid
• Formula: C13 H13 N O5
• Calculated formula: C13 H12 N O5
• SMILES: N1(C(=O)c2c(cccc2)C1=O)CCCCC(=O)OO
• Title of publication: Four ω-Phthalimidoaliphatic Peracids
• Authors of publication: Feeder, N.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1516 - 1520
• a: 6.7773 ± 0.001 Å
• b: 4.7222 ± 0.001 Å
• c: 19.935 ± 0.004 Å
• α: 90°
• β: 98.22 ± 0.02°
• γ: 90°
• Cell volume: 631.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.202
• Weighted residual factors for significantly intense reflections: 0.1526
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No