Information card for entry 7237476

Structure parameters

• Formula: C33 H20 N2 O
• Calculated formula: C33 H20 N2 O
• 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: 14.2418 ± 0.0002 Å
• b: 14.2451 ± 0.0002 Å
• c: 22.5117 ± 0.0002 Å
• α: 88.052 ± 0.001°
• β: 92.004 ± 0.001°
• γ: 101.825 ± 0.001°
• Cell volume: 4465.74 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No