Information card for entry 2107535

Structure parameters

• Formula: C26 H12 N4 O2
• Calculated formula: C26 H12 N4 O2
• Title of publication: Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones
• Authors of publication: Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 416 - 433
• a: 11.7955 ± 0.0011 Å
• b: 4.768 ± 0.0004 Å
• c: 16.1261 ± 0.0014 Å
• α: 90°
• β: 99.354 ± 0.007°
• γ: 90°
• Cell volume: 894.89 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes