Information card for entry 2312020

Structure parameters

• Chemical name: 5-(Dibenzofuran-4-yl)-2'-deoxyuridine
• Formula: C21 H18 N2 O6
• Calculated formula: C21 H18 N2 O6
• SMILES: OC[C@H]1O[C@@H](N2C=C(C(=O)NC2=O)c2c3oc4ccccc4c3ccc2)C[C@@H]1O
• Title of publication: Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine.
• Authors of publication: Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1493 - 1496
• a: 6.2899 ± 0.0013 Å
• b: 15.167 ± 0.003 Å
• c: 17.938 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1711.3 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes