Information card for entry 7059521

Structure parameters

• Formula: C26 H26 N6 O3
• Calculated formula: C26 H26 N6 O3
• Title of publication: Synthesis and Characterization of new Heterocycles related to Aryl[e][1,3]diazepinediones. Rearrangement to 2,4-Diamino-1,3,5-triazine Derivatives.
• Authors of publication: Bardovskyi, Rostyslav; Grytsai, Oleksandr; RONCO, Cyril; Benhida, Rachid
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• a: 10.269 ± 0.0004 Å
• b: 10.7223 ± 0.0005 Å
• c: 12.4618 ± 0.0005 Å
• α: 105.159 ± 0.004°
• β: 98.99 ± 0.003°
• γ: 102.897 ± 0.004°
• Cell volume: 1256.94 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.085
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No