Information card for entry 7234553

Structure parameters

• Formula: C36 H23 N3 O
• Calculated formula: C36 H23 N3 O
• SMILES: c12ccccc1c1ccccc1n2c1cc(cc(c1)C(=O)c1ccncc1)n1c2ccccc2c2ccccc12
• Title of publication: A thermally activated delayed blue fluorescent emitter with reversible externally tunable emission
• Authors of publication: Pachaiyappan Rajamalli; Natarajan Senthilkumar; Parthasarathy Gandeepan; Chen-Zheng Ren-Wu; Hao-Wu Lin; Chien-Hong Cheng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 900 - 904
• a: 27.2477 ± 0.0011 Å
• b: 21.3076 ± 0.0011 Å
• c: 8.9486 ± 0.0004 Å
• α: 90°
• β: 91.472 ± 0.002°
• γ: 90°
• Cell volume: 5193.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No