Information card for entry 4504459

Structure parameters

• Formula: C18 H26 N4 O4
• Calculated formula: C18 H22 N4 O4
• SMILES: O.O.O=C(Nc1ccncc1)CCCCCCC(=O)Nc1ccncc1
• 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: 11.694 ± 0.002 Å
• b: 11.655 ± 0.002 Å
• c: 15.421 ± 0.003 Å
• α: 90°
• β: 109.33 ± 0.03°
• γ: 90°
• Cell volume: 1983.3 ± 0.7 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: 0.1301
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2697
• Weighted residual factors for all reflections included in the refinement: 0.3111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No