Information card for entry 7132823

Structure parameters

• Formula: C24 H16 O2
• Calculated formula: C24 H16 O2
• SMILES: C1(=O)c2cc3ccccc3c(c2CO1)c1ccc(cc1)c1ccccc1
• 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: 12.2366 ± 0.0011 Å
• b: 17.3994 ± 0.0015 Å
• c: 8.2782 ± 0.0008 Å
• α: 90°
• β: 102.186 ± 0.004°
• γ: 90°
• Cell volume: 1722.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1004
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No