Information card for entry 7126109

Structure parameters

• Formula: C45 H37 N5
• Calculated formula: C45 H37 N5
• SMILES: N1c2c(C(c3ccccc13)(C)C)ccc1N(c3ccccc3C(c21)(C)C)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
• Title of publication: A simple and effective strategy to lock the quasi-equatorial conformation of acridine by H-H repulsion for highly efficient thermally activated delayed fluorescence emitters.
• Authors of publication: Chai, Danyang; Zeng, Xuan; Su, Xiaoxuan; Zhou, Changjiang; Zou, Yang; Zhong, Cheng; Gong, Shaolong; Yang, Chuluo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 2308 - 2311
• a: 6.0216 ± 0.0006 Å
• b: 15.6695 ± 0.0016 Å
• c: 18.6718 ± 0.0019 Å
• α: 99.624 ± 0.004°
• β: 90.21 ± 0.004°
• γ: 95.366 ± 0.004°
• Cell volume: 1729 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No