Information card for entry 7251308

Structure parameters

• Formula: C30 H41 N3
• Calculated formula: C30 H41 N3
• 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: 10.39323 ± 0.00011 Å
• b: 18.5344 ± 0.00016 Å
• c: 6.83259 ± 0.00008 Å
• α: 90°
• β: 91.9405 ± 0.001°
• γ: 90°
• Cell volume: 1315.42 ± 0.02 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No