Information card for entry 7061649

Structure parameters

• Formula: C39 H27 N O2
• Calculated formula: C39 H27 N O2
• SMILES: O=C(c1ccc2oc3c(c2c1)cccc3)c1ccc(cc1)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Achieving tricolor luminescence switching from a stimuli-responsive luminophore based on a bisarylic methanone derivative
• Authors of publication: Feng, Xiucun; Zhou, Ningning; Zhou, Hongke; Song, Fuhua; Fu, Shengjie; Zhang, Weidong; Liu, Xingliang; Xu, Defang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 32
• Pages of publication: 15657 - 15665
• a: 6.0021 ± 0.0003 Å
• b: 7.507 ± 0.0004 Å
• c: 30.8256 ± 0.0013 Å
• α: 84.861 ± 0.004°
• β: 89.533 ± 0.003°
• γ: 89.472 ± 0.004°
• Cell volume: 1383.25 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No