Information card for entry 7243802

Structure parameters

• Formula: C45 H32 N4
• Calculated formula: C45 H32 N4
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1cc(ccc1)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
• Title of publication: meta-Terphenyl linked donor–π–acceptor dyads: intramolecular charge transfer controlled by electron acceptor group tuning
• Authors of publication: Kim, Min-Ji; Ahn, Mina; Chae, Minjung; Kim, Sanghyun; Kim, Daehoon; Wee, Kyung-Ryang
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 55
• Pages of publication: 34945 - 34954
• a: 9.945 ± 0.006 Å
• b: 18.098 ± 0.008 Å
• c: 18.778 ± 0.01 Å
• α: 91.599 ± 0.015°
• β: 94.106 ± 0.017°
• γ: 104.334 ± 0.016°
• Cell volume: 3262 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2074
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No