Information card for entry 2233158

Structure parameters

• Chemical name: 6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate
• Formula: C28 H42.38 N2 O4.19
• Calculated formula: C28 H42.37 N2 O4.185
• Title of publication: 6,6'-Di-<i>tert</i>-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate
• Authors of publication: Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o191 - o192
• a: 8.2265 ± 0.0001 Å
• b: 33.0103 ± 0.0002 Å
• c: 10.0322 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2724.34 ± 0.14 ų
• Cell temperature: 119.9 ± 0.2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 2.64
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes