Information card for entry 1571927

Structure parameters

• Formula: C20 H17 N5 O4
• Calculated formula: C20 H17 N5 O4
• Title of publication: Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.
• Authors of publication: Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 11065 - 11071
• a: 10.4348 ± 0.0002 Å
• b: 9.9373 ± 0.0002 Å
• c: 18.8362 ± 0.0003 Å
• α: 90°
• β: 99.256 ± 0.002°
• γ: 90°
• Cell volume: 1927.76 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No