Information card for entry 7231953

Structure parameters

• Formula: C26 H26 N4 O2
• Calculated formula: C26 H26 N4 O2
• 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: 20.3152 ± 0.0009 Å
• b: 14.7532 ± 0.0006 Å
• c: 16.39 ± 0.0007 Å
• α: 90°
• β: 110.119 ± 0.002°
• γ: 90°
• Cell volume: 4612.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No