Information card for entry 7203176

Structure parameters

• Formula: C17 H11 N5 O3
• Calculated formula: C17 H11 N5 O3
• SMILES: c1c2ccc3cncc4ccc(cn1)c2c34.C1(=O)NC(=O)NC(=O)N1
• Title of publication: Threefold interpenetration of hydrogen-bonded two-dimensional sheets with 4<small>⁴</small> topology: supramolecular assembly of dimeric cyanuric acid nodes with four-fold connectivity
• Authors of publication: David J. Ring; Alexander J. Blake; Neil R. Champness; Claire Wilson
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Pages of publication: 29 - 32
• a: 8.2288 ± 0.0004 Å
• b: 7.9971 ± 0.0004 Å
• c: 21.7042 ± 0.001 Å
• α: 90°
• β: 90.523 ± 0.001°
• γ: 90°
• Cell volume: 1428.22 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.6749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No