Information card for entry 7063038

Structure parameters

• Formula: C18 H22 N2 O5
• Calculated formula: C18 H22 N2 O5
• SMILES: O1C(O[C@H]2[C@@H]1O[C@H](c1[nH]c3ccccc3n1)[C@@H]1OC(O[C@H]21)(C)C)(C)C
• Title of publication: Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica
• Authors of publication: Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 5605 - 5612
• a: 9.9303 ± 0.0007 Å
• b: 17.9109 ± 0.0012 Å
• c: 10.1057 ± 0.0007 Å
• α: 90°
• β: 94.298 ± 0.004°
• γ: 90°
• Cell volume: 1792.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No