Information card for entry 2313043

Structure parameters

• Common name: Sunvozertinib
• Chemical name: <i>N</i>-[5-({4-[5-Chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl}amino)-2-[(3<i>R</i>)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
• Formula: C29 H35 Cl F N7 O3
• Calculated formula: C29 H35 Cl F N7 O3
• Title of publication: Crystal structure of sunvozertinib, C₂₉H₃₅ClFN₇O₃, from synchrotron X-ray powder data and DFT optimization.
• Authors of publication: Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 634 - 638
• a: 33.491 ± 0.009 Å
• b: 10.2237 ± 0.0006 Å
• c: 19.857 ± 0.004 Å
• α: 90°
• β: 117.216 ± 0.009°
• γ: 90°
• Cell volume: 6046 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Weighted residual factors for significantly intense reflections: 0.09926
• Goodness-of-fit parameter for all reflections: 48.596
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.81933 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No