Information card for entry 4033843

Structure parameters

• Formula: C24 H20 O6
• Calculated formula: C24 H20 O6
• SMILES: [C@H]12c3ccccc3C(=C(C[C@H]3c4ccccc4[C@@]1(C(=C)O3)OC(=O)C)O2)OC(=O)C.[C@@H]12c3ccccc3C(=C(C[C@@H]3c4ccccc4[C@]1(C(=C)O3)OC(=O)C)O2)OC(=O)C
• Title of publication: Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.
• Authors of publication: Zhao, Yun-Long; Cheng, Ying
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 11114 - 11124
• a: 20.3439 ± 0.0004 Å
• b: 8.323 ± 0.0002 Å
• c: 22.9542 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3886.66 ± 0.15 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: 0.0434
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No