Information card for entry 7060971

Structure parameters

• Formula: C29 H22 N2 O
• Calculated formula: C29 H22 N2 O
• SMILES: O=Cc1n(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)ccc1
• Title of publication: A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine
• Authors of publication: Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 20173 - 20180
• a: 7.7989 ± 0.0004 Å
• b: 9.2736 ± 0.0004 Å
• c: 15.9266 ± 0.0008 Å
• α: 101.526 ± 0.004°
• β: 90.3 ± 0.004°
• γ: 109.404 ± 0.004°
• Cell volume: 1061.34 ± 0.09 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0451
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No