Information card for entry 2203550

Structure parameters

• Chemical name: N-formylglycine
• Formula: C3 H5 N O3
• Calculated formula: C3 H5 N O3
• SMILES: O=C(O)CNC=O
• Title of publication: <i>N</i>-Formylglycine
• Authors of publication: Görbitz, Carl Henrik; Sagstuen, Einar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o841 - o843
• a: 7.4378 ± 0.0015 Å
• b: 9.165 ± 0.0019 Å
• c: 7.1002 ± 0.0014 Å
• α: 90°
• β: 116.348 ± 0.003°
• γ: 90°
• Cell volume: 433.72 ± 0.15 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes