Information card for entry 2223383

Structure parameters

• Chemical name: Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)malonate
• Formula: C42 H72 N2 O5
• Calculated formula: C42 H72 N2 O5
• SMILES: O=C(OC1CC(N(C(C1)(C)C)C)(C)C)C(C(=O)OC1CC(N(C(C1)(C)C)C)(C)C)(CCCC)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)malonate (Tinuvin 144)
• Authors of publication: Zeng, Tao; Ren, Wan-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2357
• a: 13.736 ± 0.006 Å
• b: 18.827 ± 0.008 Å
• c: 17.185 ± 0.007 Å
• α: 90°
• β: 108.679 ± 0.008°
• γ: 90°
• Cell volume: 4210 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes