Information card for entry 7135216

Structure parameters

• Formula: C18 H22 O5
• Calculated formula: C18 H22 O5
• Title of publication: Photoinduced [3+2] cycloaddition <i>via</i> HFIP-promoted <i>in situ</i> formation of isobutylene from the Boc group.
• Authors of publication: Luo, Xue-Ling; Lv, Yu; Luo, Di-Jing; Qin, Lu-Lu; Li, Shu-Hui; Ye, Zhi-Peng; Xie, Zhen-Zhen; Xia, Peng-Ju
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 92
• Pages of publication: 18180 - 18183
• a: 8.1345 ± 0.0001 Å
• b: 10.4932 ± 0.0002 Å
• c: 20.272 ± 0.0003 Å
• α: 90°
• β: 95.961 ± 0.001°
• γ: 90°
• Cell volume: 1721 ± 0.05 ų
• Cell temperature: 500 K
• Ambient diffraction temperature: 500 K
• Number of distinct elements: 3
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No