Information card for entry 4033847

Structure parameters

• Formula: C24 H22 O7
• Calculated formula: C24 H22 O7
• SMILES: c12ccccc1[C@H]1[C@@]3(c4ccccc4[C@@H]4C[C@@]([C@]2([C@@]3(C)O4)OC(=O)C)(O1)O)OC(=O)C.c12ccccc1[C@H]1C[C@@]3([C@]4(c5ccccc5[C@H]([C@@]2([C@@]4(C)O1)OC(=O)C)O3)OC(=O)C)O
• 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: 14.0881 ± 0.0002 Å
• b: 7.8859 ± 0.0001 Å
• c: 35.7414 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3970.77 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No