Information card for entry 2003018

Structure parameters

• Formula: C4 H6 N2 O2
• Calculated formula: C4 H6 N2 O2
• SMILES: O=C1NCCNC1=O
• Title of publication: Net Intensities: Accuracy Improvement Through a Bayesian Perspective on the Measuring Strategy and Their Persistent Lack of Precision. An Illustration
• Authors of publication: Lenstra; Bracke; Van Dijk; Maes; Vanhulle; Desseyn
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 851 - 858
• a: 5.941 ± 0.003 Å
• b: 10.08 ± 0.003 Å
• c: 8.282 ± 0.002 Å
• α: 90°
• β: 95.87 ± 0.03°
• γ: 90°
• Cell volume: 493.4 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No