Information card for entry 7246193

Structure parameters

• Formula: C38 H52 N12 O12
• Calculated formula: C38 H52 N12 O12
• Title of publication: Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution
• Authors of publication: Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1220 - 1231
• a: 11.2418 ± 0.0011 Å
• b: 16.0951 ± 0.0015 Å
• c: 24.413 ± 0.003 Å
• α: 90°
• β: 99.814 ± 0.003°
• γ: 90°
• Cell volume: 4352.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.095
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No