Information card for entry 7158381

Structure parameters

• Common name: 1,5-dimethyl-3-pyridyl-oxoverdazyl
• Chemical name: 1,5-dimethyl-3-pyridyl-oxoverdazyl
• Formula: C9 H13 N5 O
• Calculated formula: C9 H13 N5 O
• SMILES: O=C1N(NC(NN1C)c1ncccc1)C
• Title of publication: Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.
• Authors of publication: Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 46
• Pages of publication: 10120 - 10138
• a: 19.7981 ± 0.0003 Å
• b: 7.6021 ± 0.0001 Å
• c: 16.1604 ± 0.0003 Å
• α: 90°
• β: 124.601 ± 0.002°
• γ: 90°
• Cell volume: 2002.05 ± 0.07 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0401
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No