Information card for entry 7059894

Structure parameters

• Formula: C55 H60 Cl2 N4
• Calculated formula: C55 H60 Cl2 N4
• Title of publication: Synthesis and structural characterisation of bulky heptaaromatic (hetero)aryl o-substituted s-aryltetrazines
• Authors of publication: Mboyi, Clève D.; Daher, Ahmad; Khirzada, Neelab; Devillers, Charles H.; Cattey, Hélène; Fleurat-Lessard, Paul; Roger, Julien; Hierso, Jean-Cyrille
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15235 - 15243
• a: 11.4912 ± 0.0006 Å
• b: 12.8803 ± 0.0008 Å
• c: 17.1913 ± 0.0009 Å
• α: 77.642 ± 0.002°
• β: 74.455 ± 0.002°
• γ: 88.158 ± 0.002°
• Cell volume: 2393.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0956
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No