Information card for entry 1564666

Structure parameters

• Formula: C33 H24 N2 O4 S
• Calculated formula: C33 H24 N2 O4 S
• SMILES: s1c(nc2c1cccc2)c1c(O)cc2Oc3c(C4(OC(=O)c5c4cccc5)c2c1)cc1c2N(CCCc32)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: 7.8981 ± 0.0018 Å
• b: 10.981 ± 0.002 Å
• c: 15.616 ± 0.004 Å
• α: 72.196 ± 0.004°
• β: 88.661 ± 0.004°
• γ: 80.402 ± 0.004°
• Cell volume: 1270.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No