Information card for entry 1564670

Structure parameters

• Formula: C42 H32 N6 O7 S
• Calculated formula: C42 H32 N6 O7 S
• SMILES: s1c(nc2ccccc12)c1cc2C3(N(N=C(C)C)C(=O)c4c3cccc4)c3c(Oc2cc1Oc1ccc(N(=O)=O)cc1N(=O)=O)c1c2N(CCCc2c3)CCC1
• Title of publication: Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe
• Authors of publication: Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 17.642 ± 0.003 Å
• b: 9.1727 ± 0.0018 Å
• c: 23.263 ± 0.005 Å
• α: 90°
• β: 101.185 ± 0.009°
• γ: 90°
• Cell volume: 3693 ± 1.3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No