Information card for entry 4519255

Structure parameters

• Formula: C24 H22 O
• Calculated formula: C24 H22 O
• SMILES: O[C@H]([C@@H](c1cc2c(c3cc(ccc13)C)cccc2)c1ccccc1)C.O[C@@H]([C@H](c1cc2c(c3cc(ccc13)C)cccc2)c1ccccc1)C
• Title of publication: Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes
• Authors of publication: Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 51
• Pages of publication: 35852 - 35865
• a: 23.34 ± 0.02 Å
• b: 9.228 ± 0.006 Å
• c: 16.238 ± 0.011 Å
• α: 90°
• β: 92.475 ± 0.019°
• γ: 90°
• Cell volume: 3494 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0935
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No