Information card for entry 7134235

Structure parameters

• Formula: C25 H25 N O5
• Calculated formula: C25 H25 N O5
• 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: 13.806 ± 0.0004 Å
• b: 8.8682 ± 0.0003 Å
• c: 18.6122 ± 0.0005 Å
• α: 90°
• β: 108.601 ± 0.003°
• γ: 90°
• Cell volume: 2159.74 ± 0.12 ų
• Cell temperature: 120.01 ± 0.18 K
• Ambient diffraction temperature: 120.01 ± 0.18 K
• Number of distinct elements: 4
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No