Information card for entry 4516270

Structure parameters

• Formula: C15 H19 N4 O3
• Calculated formula: C15 H19 N4 O3
• Title of publication: Layered 2D Sheetlike Supramolecular Polymers Formed by O‒H···Anion Hydrogen Bonds
• Authors of publication: White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1540
• a: 7.283 ± 0.004 Å
• b: 9.504 ± 0.004 Å
• c: 10.849 ± 0.005 Å
• α: 73.032 ± 0.01°
• β: 83.365 ± 0.011°
• γ: 86.632 ± 0.01°
• Cell volume: 713.2 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0462
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9534
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No