Information card for entry 7237754

Structure parameters

• Formula: C45 H38 Cl3 D N2 O2 S3
• Calculated formula: C45 H38 Cl3 D N2 O2 S3
• Title of publication: The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence
• Authors of publication: Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 6672
• a: 7.6155 ± 0.0019 Å
• b: 31.336 ± 0.008 Å
• c: 8.892 ± 0.002 Å
• α: 90°
• β: 108.991 ± 0.005°
• γ: 90°
• Cell volume: 2006.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No