Information card for entry 7134234

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: 9.5157 ± 0.0005 Å
• b: 9.7021 ± 0.0005 Å
• c: 11.1463 ± 0.0007 Å
• α: 98.202 ± 0.005°
• β: 100.953 ± 0.005°
• γ: 94.096 ± 0.004°
• Cell volume: 994.82 ± 0.1 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: 0.0522
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No