Information card for entry 2242326

Structure parameters

• Chemical name: 2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene
• Formula: C30 H24 N6
• Calculated formula: C30 H24 N6
• SMILES: n1c2c3nc4cc(c(cc4nc3c3nc4c(nc3c2nc2c1cc(C)c(c2)C)cc(c(c4)C)C)C)C
• Title of publication: Crystal structures of 2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene and 2,3,8,9,14,15-hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate
• Authors of publication: Fangmann, Pia; Schmidtmann, Marc; Beckhaus, Rüdiger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 167 - 171
• a: 11.6178 ± 0.0008 Å
• b: 15.7762 ± 0.0008 Å
• c: 12.8621 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes