Information card for entry 2232516

Structure parameters

• Chemical name: 4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenol
• Formula: C34 H52 N2 O2
• Calculated formula: C34 H52 N2 O2
• SMILES: Oc1c(/C=N/CCCC/N=C/c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: 4,4',6,6'-Tetra-<i>tert</i>-butyl-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenol
• Authors of publication: Tee, Jia Ti; Abdullah, Norbani; Khaledi, Hamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2954
• a: 19.1255 ± 0.0004 Å
• b: 9.5702 ± 0.0002 Å
• c: 8.6312 ± 0.0001 Å
• α: 90°
• β: 90.383 ± 0.001°
• γ: 90°
• Cell volume: 1579.78 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes