Information card for entry 1558612

Structure parameters

• Formula: C23 H21 Cl O7
• Calculated formula: C23 H21 Cl O7
• SMILES: COc1ccc2c(CCc3cc4c(c5c(CC4)cc(cc5)OC)[o+]c23)c1.[O-]Cl(=O)(=O)=O
• Title of publication: A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis
• Authors of publication: Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 9.04 ± 0.009 Å
• b: 16.15 ± 0.008 Å
• c: 14.32 ± 0.006 Å
• α: 90°
• β: 101.67 ± 0.006°
• γ: 90°
• Cell volume: 2047 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No