Information card for entry 2203126

Structure parameters

• Chemical name: 5-(tert-Butylamino)-5-oxopentanoic acid
• Formula: C9 H17 N O3
• Calculated formula: C9 H17 N O3
• SMILES: O=C(NC(C)(C)C)CCCC(=O)O
• Title of publication: 5-(<i>tert</i>-Butylamino)-5-oxopentanoic acid
• Authors of publication: Takahashi, Kazuyuki; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o19 - o21
• a: 6.066 ± 0.003 Å
• b: 11.076 ± 0.006 Å
• c: 7.797 ± 0.003 Å
• α: 90°
• β: 91.56 ± 0.04°
• γ: 90°
• Cell volume: 523.7 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.038
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes