Information card for entry 7237497

Structure parameters

• Formula: C80 H72 N2 O2
• Calculated formula: C80 H72 N2 O2
• Title of publication: The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones
• Authors of publication: Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 45
• Pages of publication: 12306
• a: 9.9509 ± 0.0009 Å
• b: 12.5238 ± 0.0011 Å
• c: 13.0711 ± 0.0012 Å
• α: 83.788 ± 0.004°
• β: 81.296 ± 0.003°
• γ: 68.485 ± 0.003°
• Cell volume: 1495.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.102
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No