Information card for entry 7248015

Structure parameters

• Chemical name: (E)-5-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-phenylpentan-1-one oxime
• Formula: C32 H41 N O3
• Calculated formula: C32 H41 N O3
• SMILES: C(C)(C)(C)c1c(c(cc(c1)C(c1ccccc1)CCCC(=N\O)/c1ccc(cc1)OC)C(C)(C)C)O
• Title of publication: Visible-light-induced tandem ring opening/1,6-conjugate addition of cyclobutanols with p-quinone methides under metal- and additive-free conditions
• Authors of publication: Zhou, Tongyao; Zeng, Jie; Liu, Yang; Chen, Hang; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Chen, Fener
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 1375 - 1380
• a: 12.962 ± 0.003 Å
• b: 9.7854 ± 0.0017 Å
• c: 23.918 ± 0.005 Å
• α: 90°
• β: 98.354 ± 0.005°
• γ: 90°
• Cell volume: 3001.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1248
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No