Information card for entry 2010170

Structure parameters

• Common name: Phenylamidohexanoic acid
• Chemical name: 7-oxo-7(phenylamino)heptanoic acid
• Formula: C13 H17 N O3
• Calculated formula: C13 H16 N O3
• SMILES: N(C(=O)CCCCCC(=O)O)c1ccccc1
• Title of publication: Two ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar"-oxo-ẹfλbar{ıfvmodeνoindentφi{ηboxλęrn-0.35emρaise0.7exηbox{-}ęrn0.2em}}λbar"-(phenylamino) aliphatic acids
• Authors of publication: Feeder, N.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1732 - 1734
• a: 5.001 ± 0.001 Å
• b: 7.972 ± 0.007 Å
• c: 16.843 ± 0.002 Å
• α: 76.863 ± 0.01°
• β: 80.667 ± 0.01°
• γ: 76.14 ± 0.05°
• Cell volume: 630.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1382
• Weighted residual factors for significantly intense reflections: 0.1283
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No