Information card for entry 1569755

Structure parameters

• Chemical name: methyl 3-(2-hydroxy-7-phenylnaphthalen-1-yl)-3-phenylcyclobutane-1-carboxylate
• Formula: C28 H24 O3
• Calculated formula: C28 H24 O3
• SMILES: Oc1c([C@]2(c3ccccc3)C[C@H](C(=O)OC)C2)c2cc(c3ccccc3)ccc2cc1
• Title of publication: C(sp²)-H cyclobutylation of hydroxyarenes enabled by silver-π-acid catalysis: diastereocontrolled synthesis of 1,3-difunctionalized cyclobutanes.
• Authors of publication: Tang, Lei; Huang, Qi-Nan; Wu, Feng; Xiao, Yuanjiu; Zhou, Jin-Lan; Xu, Tong-Tong; Wu, Wen-Biao; Qu, Shuanglin; Feng, Jian-Jun
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9696 - 9703
• a: 9.7676 ± 0.0015 Å
• b: 10.6234 ± 0.0016 Å
• c: 12.9739 ± 0.0016 Å
• α: 74.896 ± 0.006°
• β: 74.919 ± 0.006°
• γ: 77.645 ± 0.006°
• Cell volume: 1239.4 ± 0.3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No