Information card for entry 7063039

Structure parameters

• Formula: C24 H28 Br2 N2 O5
• Calculated formula: C24 H28 Br2 N2 O5
• SMILES: Brc1cc2nc([nH]c2cc1Br)[C@H]1O[C@@H]2OC3(O[C@@H]2[C@H]2OC4(O[C@@H]12)CCCCC4)CCCCC3
• 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: 15.5001 ± 0.0005 Å
• b: 18.3458 ± 0.0006 Å
• c: 19.5228 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5551.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No