Information card for entry 2223475

Structure parameters

• Chemical name: Dimethyl 2-butyl-2-(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)malonate
• Formula: C24 H38 O5
• Calculated formula: C24 H38 O5
• SMILES: Oc1c(cc(cc1C(C)(C)C)CC(C(=O)OC)(C(=O)OC)CCCC)C(C)(C)C
• Title of publication: Dimethyl 2-butyl-2-(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)malonate
• 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: o2429
• a: 10.854 ± 0.002 Å
• b: 10.341 ± 0.002 Å
• c: 22.899 ± 0.005 Å
• α: 90°
• β: 98.838 ± 0.004°
• γ: 90°
• Cell volume: 2539.7 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.1058
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes