Information card for entry 7155061

Structure parameters

• Common name: NA
• Chemical name: Benzimidazole nucleosides
• Formula: C16 H18 N2 O3
• Calculated formula: C16 H18 N2 O3
• SMILES: n1(cnc2c1cccc2)[C@@H]1O[C@@H]([C@]([C@H]1O)(O)CC=C)C=C
• Title of publication: Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.
• Authors of publication: Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4136 - 4145
• a: 5.7178 ± 0.0003 Å
• b: 10.4187 ± 0.0005 Å
• c: 24.9522 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.45 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No