Information card for entry 7228954

Structure parameters

• Formula: C30 H34.28 N10 O8
• Calculated formula: C30 H34.224 N10 O8
• 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: 23.096 ± 0.004 Å
• b: 17.557 ± 0.003 Å
• c: 9.015 ± 0.0017 Å
• α: 90°
• β: 112.545 ± 0.004°
• γ: 90°
• Cell volume: 3376.2 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No