Information card for entry 1554724

Structure parameters

• Formula: C26 H20 O3
• Calculated formula: C26 H20 O3
• SMILES: O(c1cc2c(c3c4c(Cc3c(c2cc1)C(=O)OC)cccc4)c1ccccc1)C
• Title of publication: Enynone-enabled migratory insertion and Schmittel cyclization cascade for the synthesis of furan-fused fluorenes
• Authors of publication: Zhang, He; Cao, Tongxiang; Luo, Hejiang; Chen, Lianfen; Zhu, Shifa
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1118
• a: 11.5269 ± 0.0006 Å
• b: 6.9766 ± 0.0004 Å
• c: 23.812 ± 0.0012 Å
• α: 90°
• β: 98.369 ± 0.005°
• γ: 90°
• Cell volume: 1894.54 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No