Information card for entry 4504452

Structure parameters

• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: c1(cnccc1)NC(=O)CCC(=O)Nc1cnccc1
• 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: 7.737 ± 0.0015 Å
• b: 8.129 ± 0.0016 Å
• c: 10.546 ± 0.002 Å
• α: 90°
• β: 102.05 ± 0.03°
• γ: 90°
• Cell volume: 648.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No