Information card for entry 2108364

Structure parameters

• Formula: C17 H10 N2
• Calculated formula: C17 H10 N2
• SMILES: N12c3ccncc3c3c1c(ccc3)c1c2cccc1
• Title of publication: The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
• Authors of publication: Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 97 - 106
• a: 7.394 ± 0.009 Å
• b: 10.953 ± 0.013 Å
• c: 29.06 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353 ± 5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes