Information card for entry 7213313

Structure parameters

• Formula: C22 H24 O3
• Calculated formula: C22 H24 O3
• SMILES: O=C(OC(C)(C)C)[C@@H]1[C@H]([C@@H]1c1ccccc1)CC(=O)c1ccccc1.O=C(OC(C)(C)C)[C@H]1[C@@H]([C@H]1c1ccccc1)CC(=O)c1ccccc1
• Title of publication: Exploitation of ylide steric bulk to alter cyclopropanation outcome during the reaction of 1,2-dioxines and stabilised phosphorus ylides
• Authors of publication: Avery, Thomas D.; Greatrex, Ben W.; Taylor, Dennis K.; Tiekink, Edward R. T.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1319
• a: 5.5486 ± 0.0001 Å
• b: 17.8452 ± 0.0008 Å
• c: 19.0424 ± 0.0008 Å
• α: 90°
• β: 91.93 ± 0.003°
• γ: 90°
• Cell volume: 1884.43 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 2.54
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No