Information card for entry 7211498

Structure parameters

• Common name: 2,4-di-tert-butyl-6-(dimorpholinomethyl)phenol
• Chemical name: 2,4-di-tert-butyl-6-(dimorpholinomethyl)phenol
• Formula: C23 H38 N2 O3
• Calculated formula: C23 H38 N2 O3
• Title of publication: Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis
• Authors of publication: Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1036
• a: 11.637 ± 0.008 Å
• b: 10.801 ± 0.007 Å
• c: 19.312 ± 0.013 Å
• α: 90°
• β: 103.443 ± 0.01°
• γ: 90°
• Cell volume: 2361 ± 3 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: 0.0613
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No