Information card for entry 7132822

Structure parameters

• Formula: C20 H15 Cl3 O2
• Calculated formula: C20 H15 Cl3 O2
• SMILES: C1(=O)C2(C(=C(c3c(C2)cccc3)c2ccccc2)CO1)CC(Cl)(Cl)Cl
• Title of publication: Metal-free radical bicyclization/chloroalkylarylation of 1,6-enynes with chloroalkanes.
• Authors of publication: Zhou, Hongxun; Li, Lijun; Yan, Qinqin; Ma, Jinyue; Wang, Ying; Gao, Yongjun; Liu, Zhong-Quan; Li, Zejiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 29
• Pages of publication: 3938 - 3941
• a: 10.8147 ± 0.0018 Å
• b: 9.8903 ± 0.0015 Å
• c: 16.969 ± 0.003 Å
• α: 90°
• β: 104.319 ± 0.006°
• γ: 90°
• Cell volume: 1758.6 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No