Information card for entry 7228955

Structure parameters

• Formula: C24 H16 N10 O4
• Calculated formula: C24 H16 N10 O4
• Title of publication: Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes
• Authors of publication: Maly, Kenneth E.; Buck, William; Dawe, Louise N.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.955 ± 0.002 Å
• b: 9.0316 ± 0.0015 Å
• c: 18.918 ± 0.004 Å
• α: 90°
• β: 96.863 ± 0.009°
• γ: 90°
• Cell volume: 1858.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 122.98 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: 0.0815
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No