Information card for entry 7134236

Structure parameters

• Formula: C23 H23 N O5 S
• Calculated formula: C23 H23 N O5 S
• Title of publication: Phenotype-directed discovery of diverse, biologically-relevant molecular scaffolds.
• Authors of publication: Griggs, Samuel D.; Piticari, Amalia-Sofia; Liver, Samuel; Arter, Chris; Sievers, Sonja; Marsden, Stephen P.; Nelson, Adam
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 17
• Pages of publication: 3528 - 3531
• a: 9.502 ± 0.0007 Å
• b: 10.1598 ± 0.0008 Å
• c: 12.2054 ± 0.0009 Å
• α: 66.075 ± 0.007°
• β: 69.398 ± 0.007°
• γ: 75.945 ± 0.007°
• Cell volume: 1001.24 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0561
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No