Information card for entry 7121190

Structure parameters

• Formula: C24 H20 O5
• Calculated formula: C24 H20 O5
• SMILES: O1C(=O)[C@@]2(OC)c3c(C=C4C(=C([C@@H]1[C@@]24C(=O)OC)C)c1ccccc1)cccc3.O1C(=O)[C@]2(OC)c3c(C=C4C(=C([C@H]1[C@]24C(=O)OC)C)c1ccccc1)cccc3
• Title of publication: Selectivity-switchable construction of benzo-fused polycyclic compounds through a gold-catalyzed reaction of enyne-lactone.
• Authors of publication: Luo, Kui; Zhang, Ling; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 1893 - 1896
• a: 9.52631 ± 0.00013 Å
• b: 14.5795 ± 0.0003 Å
• c: 26.9344 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3740.89 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No