Information card for entry 2108365

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: 8.2204 ± 0.0015 Å
• b: 10.898 ± 0.002 Å
• c: 26.905 ± 0.005 Å
• α: 90°
• β: 98.691 ± 0.004°
• γ: 90°
• Cell volume: 2382.6 ± 0.8 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes