Information card for entry 7156439

Structure parameters

• Formula: C25 H24 O5
• Calculated formula: C25 H24 O5
• Title of publication: Atom-economic synthesis of cyclobuta[a]naphthalen-4-ols via a base-promoted [2 + 2] cycloaddition/1,6-nucleophilic addition cascade.
• Authors of publication: Wang, Jia-Yin; Xie, Feng-Lie; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 7104 - 7108
• a: 9.4624 ± 0.0008 Å
• b: 10.6408 ± 0.0009 Å
• c: 12.1773 ± 0.0011 Å
• α: 65.565 ± 0.001°
• β: 86.673 ± 0.002°
• γ: 68.952 ± 0.001°
• Cell volume: 1035.87 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0755
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No