Information card for entry 7120093

Structure parameters

• Common name: Para-tolyl substituted 1,4,9b-triazaphenalene
• Chemical name: 5-amino-2,8-bis-p-tolyl-1,4,9b-triazaphenalene-3,6,7,9-tetracarbonitrile
• Formula: C32.5 H24 N8 O
• Calculated formula: C32.5 H20 N8 O
• Title of publication: Unprecedented thermal condensation of tetracyanocyclopropanes to triazaphenalenes: a facile route for the design of novel materials for electronic applications.
• Authors of publication: Kuznetsov, Iliya E.; Susarova, Diana K.; Frolova, Lyubov A.; Peregudov, Alexander S.; Shestakov, Alexander F.; Troyanov, Sergey I.; Stevenson, Keith J.; Troshin, Pavel A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 4830 - 4833
• a: 6.7285 ± 0.0002 Å
• b: 12.4807 ± 0.0004 Å
• c: 17.2061 ± 0.0008 Å
• α: 107.908 ± 0.0013°
• β: 91.531 ± 0.0015°
• γ: 99.84 ± 0.002°
• Cell volume: 1349.83 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No