Information card for entry 2238255

Structure parameters

• Chemical name: 4,4'-Di-<i>tert</i>-butyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Formula: C25 H36 N2 O2
• Calculated formula: C25 H36 N2 O2
• SMILES: CC(c1ccc(c(c1)CN1CCN(C1)Cc1cc(ccc1O)C(C)(C)C)O)(C)C
• Title of publication: 4,4'-Di-<i>tert</i>-butyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
• Authors of publication: Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1166
• a: 21.0879 ± 0.0016 Å
• b: 6.211 ± 0.0004 Å
• c: 17.9086 ± 0.0016 Å
• α: 90°
• β: 109.168 ± 0.006°
• γ: 90°
• Cell volume: 2215.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.3179
• Weighted residual factors for all reflections included in the refinement: 0.3239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes