Information card for entry 7132824

Structure parameters

• Formula: C19 H15 Cl O
• Calculated formula: C19 H15 Cl O
• SMILES: Cl/C=C/c1c(c(c2c(c1)cccc2)c1ccccc1)CO
• 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: 9.6677 ± 0.0008 Å
• b: 12.9019 ± 0.0011 Å
• c: 13.3368 ± 0.0011 Å
• α: 73.28 ± 0.005°
• β: 88.509 ± 0.005°
• γ: 71.049 ± 0.005°
• Cell volume: 1502.7 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No