Information card for entry 4504947

Structure parameters

• Common name: Cyanuric acid DMF solvate
• Formula: C6 H10 N4 O4
• Calculated formula: C6 H10 N4 O4
• SMILES: O=C1NC(=O)NC(=O)N1.O=CN(C)C
• Title of publication: Investigating Unused Hydrogen Bond Acceptors Using Known and Hypothetical Crystal Polymorphism
• Authors of publication: Lewis, Thomas C.; Tocher, Derek A.; Price, Sarah L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 983
• a: 6.297 ± 0.004 Å
• b: 7.674 ± 0.004 Å
• c: 10.557 ± 0.006 Å
• α: 74.94 ± 0.008°
• β: 87.597 ± 0.009°
• γ: 67.677 ± 0.008°
• Cell volume: 454.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No