Information card for entry 7119538

Structure parameters

• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• SMILES: c12c(c3ccccc3cc1cccc2)/C=N\NC(=O)c1ccc(OC)cc1
• Title of publication: E-Z isomerization of the -C[double bond, length as m-dash]N- bond in anthracene-based acylhydrazone derivatives under visible light.
• Authors of publication: Bai, Binglian; Zhang, Mingang; Ji, Nan; Wei, Jue; Wang, Haitao; Li, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 2693 - 2696
• a: 4.8916 ± 0.001 Å
• b: 16.862 ± 0.003 Å
• c: 10.63 ± 0.002 Å
• α: 90°
• β: 95.71 ± 0.03°
• γ: 90°
• Cell volume: 872.4 ± 0.3 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: 0.0546
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No