Information card for entry 2108362

Structure parameters

• Formula: C17 H10 N2
• Calculated formula: C17 H10 N2
• SMILES: n1cc2c3n(c4c(cccc4)c3c1)c1ccccc21
• 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: 4.064 ± 0.008 Å
• b: 16.58 ± 0.03 Å
• c: 17.57 ± 0.03 Å
• α: 90°
• β: 91.53 ± 0.05°
• γ: 90°
• Cell volume: 1183 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes