Information card for entry 7237475

Structure parameters

• Formula: C44 H26 N4 O2
• Calculated formula: C44 H26 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: 25.514 ± 0.002 Å
• b: 9.0508 ± 0.0003 Å
• c: 19.0317 ± 0.0016 Å
• α: 90°
• β: 136.902 ± 0.016°
• γ: 90°
• Cell volume: 3002.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0438
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No