Information card for entry 2107537

Structure parameters

• Common name: Vat Red 14
• 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: 11.798 ± 0.0016 Å
• b: 4.8049 ± 0.0006 Å
• c: 16.239 ± 0.002 Å
• α: 90°
• β: 99.021 ± 0.002°
• γ: 90°
• Cell volume: 909.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1361
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No