Information card for entry 7061470

Structure parameters

• Formula: C45 H31 N3
• Calculated formula: C45 H31 N3
• SMILES: n1(c2ccccc2c2cc(ccc12)c1ccccc1c1nc2ccccc2n1c1ccccc1)C=C(c1ccccc1)c1ccccc1
• Title of publication: Differential detection of strong acids in weak acids: a combination of a benzimidazole-carbazole backbone with AIE luminophores as highly sensitive and selective turn-on fluorescent probes
• Authors of publication: Lin, Pei-Chi; Lin, Yu-Ting; Liu, Kuan-Ting; Chen, Meng-Sin; Zhang, Yong-Yun; Li, Jie-Cheng; Leung, Man-kit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 10317 - 10327
• a: 9.7546 ± 0.0003 Å
• b: 10.8555 ± 0.0003 Å
• c: 17.1955 ± 0.0005 Å
• α: 97.964 ± 0.002°
• β: 92.592 ± 0.002°
• γ: 115.717 ± 0.003°
• Cell volume: 1613.31 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No