Information card for entry 2206815

Structure parameters

• Chemical name: N,N-bis(3,5-di-tert-butyl-4-hydroxybenzyl)-N-propylamine
• Formula: C33 H53 N O2
• Calculated formula: C33 H53 N O2
• SMILES: N(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(CCC)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: <i>N</i>,<i>N</i>-Bis(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)-<i>N</i>-propylamine
• Authors of publication: Zeng, Tao; Shu, Xue-Gui; Dong, Chuan-Ming; Chen, Li-Gong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2999 - o3000
• a: 15.822 ± 0.004 Å
• b: 15.822 ± 0.004 Å
• c: 12.844 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3215.3 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes