Information card for entry 1577303

Structure parameters

• Formula: C271 H276 N4 O8
• Calculated formula: C271 H276 N4 O8
• Title of publication: Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices
• Authors of publication: Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.982 ± 0.004 Å
• b: 28.663 ± 0.004 Å
• c: 30.843 ± 0.004 Å
• α: 90°
• β: 90.52 ± 0.06°
• γ: 90°
• Cell volume: 10592 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1805
• Residual factor for significantly intense reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.3984
• Weighted residual factors for all reflections included in the refinement: 0.4539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.61989 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No