Information card for entry 7062096

Structure parameters

• Formula: C42 H38 N2 O5
• Calculated formula: C42 H38 N2 O5
• SMILES: O1c2c(C3c4c(OC(=O)C=3C1=O)cc(N(CC)CC)cc4)ccc(c2)c1ccc(N(c2ccccc2)c2ccccc2)cc1.O1CCCC1
• Title of publication: AIEE-active V-shaped fused-biscoumarins: synthesis, photophysical and electroluminescence properties
• Authors of publication: Li, Debao; Li, Peiying; Zhao, Yuling; Su, Ruige; Guo, Yongchun; Su, Wenming; Yu, Tianzhi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 48
• Pages of publication: 23213 - 23224
• a: 18.2337 ± 0.0019 Å
• b: 11.3595 ± 0.0008 Å
• c: 32.423 ± 0.002 Å
• α: 90°
• β: 100.879 ± 0.009°
• γ: 90°
• Cell volume: 6594.9 ± 0.9 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No