Information card for entry 7251305

Structure parameters

• Formula: C19 H25 N O5
• Calculated formula: C19 H25 N O5
• Title of publication: Diversifying the Triquinazine Scaffold of a Janus Kinase Inhibitor
• Authors of publication: Mulliri, Kleni; Meier, Kris; Feuchter, Johanna-Dorothea; Javor, Sacha; Andrade Meirelles, Matheus; Reymond, Jean-Louis
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2025
• a: 12.32883 ± 0.00017 Å
• b: 12.61335 ± 0.00013 Å
• c: 13.40303 ± 0.00017 Å
• α: 65.3764 ± 0.0011°
• β: 76.8583 ± 0.0011°
• γ: 86.5176 ± 0.001°
• Cell volume: 1843.76 ± 0.04 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No