Information card for entry 7061140

Structure parameters

• Formula: C20 H28 N2 O6 S
• Calculated formula: C20 H28 N2 O6 S
• SMILES: C(CN(CCO)c1ccc(cc1)/C=C/c1cc[n+](cc1)CCCS(=O)(=O)[O-])O.O
• Title of publication: Two-photon fluorescence imaging of mitochondrial viscosity with water-soluble pyridinium inner salts
• Authors of publication: Fang, Bin; Zhang, Beilin; Zhai, Rongxiu; Wang, Limin; Ding, Yang; Li, Huizi; Bai, Hua; Wang, Zhenhua; Peng, Bo; Li, Lin; Fu, Li
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 2487 - 2494
• a: 17.617 ± 0.005 Å
• b: 13.441 ± 0.005 Å
• c: 8.825 ± 0.003 Å
• α: 90°
• β: 100.752 ± 0.004°
• γ: 90°
• Cell volume: 2053 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No