Information card for entry 4504457

Structure parameters

• Formula: C14 H16 N4 O4
• Calculated formula: C14 H14 N4 O4
• SMILES: c1cc(ccn1)NC(=O)CCC(=O)Nc1ccncc1.O.O
• Title of publication: Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers
• Authors of publication: Rajput, Lalit; Singha, Subhankar; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2788
• a: 6.9253 ± 0.0014 Å
• b: 16.063 ± 0.003 Å
• c: 6.8924 ± 0.0014 Å
• α: 90°
• β: 107.39 ± 0.03°
• γ: 90°
• Cell volume: 731.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No