Information card for entry 7135126

Structure parameters

• Formula: C19 H19 N5 O4
• Calculated formula: C19 H19 N5 O4
• Title of publication: Design and synthesis of ternary multi-component crystals by sublimation.
• Authors of publication: Scheepers, Matthew C.; Haynes, Delia A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 7.9234 ± 0.0003 Å
• b: 8.7843 ± 0.0003 Å
• c: 13.3922 ± 0.0005 Å
• α: 92.797 ± 0.001°
• β: 101.022 ± 0.001°
• γ: 95.147 ± 0.001°
• Cell volume: 909.16 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No