Information card for entry 1577300

Structure parameters

• Formula: C140 H130 N2 O4
• Calculated formula: C140 H130 N2 O4
• 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: 15.447 ± 0.013 Å
• b: 22.601 ± 0.005 Å
• c: 15.846 ± 0.005 Å
• α: 90°
• β: 108.39 ± 0.009°
• γ: 90°
• Cell volume: 5250 ± 5 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: 0.1882
• Residual factor for significantly intense reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.3743
• Weighted residual factors for all reflections included in the refinement: 0.4422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.61989 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No