Information card for entry 7158378

Structure parameters

• Common name: 1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide
• Chemical name: 1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide
• Formula: C19 H22 N4 O3
• Calculated formula: C19 H22 N4 O3
• SMILES: O(c1cc(/C=N/N(C(=O)N(/N=C/c2cc(OC)ccc2)C)C)ccc1)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: 10.9788 ± 0.0001 Å
• b: 14.7369 ± 0.0001 Å
• c: 22.0879 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3573.68 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No