Information card for entry 7237474

Structure parameters

• Formula: C50 H40 N4 O2
• Calculated formula: C50 H40 N4 O2
• Title of publication: Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters
• Authors of publication: Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 39
• Pages of publication: 10557
• a: 11.2803 ± 0.0001 Å
• b: 14.5794 ± 0.0002 Å
• c: 22.9364 ± 0.0002 Å
• α: 90°
• β: 97.579 ± 0.001°
• γ: 90°
• Cell volume: 3739.17 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No