Information card for entry 7246730

Structure parameters

• Formula: C24 H25 N3 O
• Calculated formula: C24 H25 N3 O
• SMILES: O(c1c(c(cc2cc(nc(N3CCCCC3)c12)C)C)C#N)Cc1ccccc1
• Title of publication: Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives
• Authors of publication: Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 3264 - 3270
• a: 6.8819 ± 0.0004 Å
• b: 18.2382 ± 0.001 Å
• c: 8.3735 ± 0.0005 Å
• α: 90°
• β: 101.22 ± 0.002°
• γ: 90°
• Cell volume: 1030.9 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No