Information card for entry 1564671

Structure parameters

• Formula: C43 H38 N6 O8 S
• Calculated formula: C43 H38 N6 O8 S
• SMILES: s1c(nc2c1cccc2)c1cc2C3(c4c(Oc2cc1Oc1c(N(=O)=O)cc(N(=O)=O)cc1)c1c2c(c4)CCCN2CCC1)N(N)C(=O)c1c3cccc1.O(CC)CC
• 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: 17.669 ± 0.005 Å
• b: 9.336 ± 0.003 Å
• c: 23.887 ± 0.007 Å
• α: 90°
• β: 102.697 ± 0.006°
• γ: 90°
• Cell volume: 3844 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1824
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No