Information card for entry 2208610

Structure parameters

• Chemical name: N-(3,5-di-tert-butyl-4-hydroxybenzyl)phthalimide
• Formula: C23 H27 N O3
• Calculated formula: C23 H27 N O3
• SMILES: O=C1N(C(=O)c2c1cccc2)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: <i>N</i>-(3,5-Di-<i>tert</i>-butyl-4-hydroxybenzyl)phthalimide
• Authors of publication: Xin, Chun-Wei; Li, Jiang-Sheng; Guo, Zhi-Xiong; Chen, Li-Gong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1273 - o1275
• a: 17.1925 ± 0.0016 Å
• b: 17.1925 ± 0.0016 Å
• c: 13.7715 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4070.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes