Information card for entry 7235919

Structure parameters

• Chemical name: 5,5'-(furan-2-ylmethylene)bis(6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione)
• Formula: C18 H24 N6 O4
• Calculated formula: C17 H20 N6 O5
• Title of publication: Ceric ammonium nitrate (CAN): an efficient and eco-friendly catalyst for the one-pot synthesis of alkyl/aryl/heteroaryl-substituted bis(6-aminouracil-5-yl)methanes at room temperature
• Authors of publication: Brahmachari, Goutam; Banerjee, Bubun
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 49
• Pages of publication: 39263
• a: 11.3123 ± 0.0008 Å
• b: 14.8291 ± 0.001 Å
• c: 10.8777 ± 0.0008 Å
• α: 90°
• β: 102.943 ± 0.007°
• γ: 90°
• Cell volume: 1778.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No