Information card for entry 7231952

Structure parameters

• Formula: C40 H36 N8 O4 S2
• Calculated formula: C40 H36 N8 O4 S2
• Title of publication: A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer
• Authors of publication: Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K.
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 69
• a: 10.651 ± 0.005 Å
• b: 12.816 ± 0.005 Å
• c: 14.137 ± 0.005 Å
• α: 100.211 ± 0.005°
• β: 107.686 ± 0.005°
• γ: 101.151 ± 0.005°
• Cell volume: 1745.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.3581
• Weighted residual factors for all reflections included in the refinement: 0.3836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.604
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No