Information card for entry 4504454

Structure parameters

• Formula: C18 H22 N4 O2
• Calculated formula: C18 H22 N4 O2
• SMILES: n1cc(NC(=O)CCCCCCC(=O)Nc2cnccc2)ccc1
• 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: 8.2247 ± 0.0016 Å
• b: 9.6843 ± 0.0019 Å
• c: 21.939 ± 0.004 Å
• α: 96 ± 0.03°
• β: 96.18 ± 0.03°
• γ: 105.83 ± 0.03°
• Cell volume: 1655 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1783
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No