Information card for entry 7244532

Structure parameters

• Formula: C27 H28 N4 O6 S
• Calculated formula: C27 H27.997 N4 O6 S
• Title of publication: Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study
• Authors of publication: Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 15.1885 ± 0.0002 Å
• b: 7.6664 ± 0.0001 Å
• c: 22.5682 ± 0.0003 Å
• α: 90°
• β: 90.818 ± 0.001°
• γ: 90°
• Cell volume: 2627.6 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No