Information card for entry 1555171

Structure parameters

• Formula: C23 H28 O7
• Calculated formula: C23 H28 O7
• SMILES: O=C1OC(=C[C@@H]2[C@H]1[C@H](C(CC2)(C(=O)OCC)C(=O)OCC)c1ccc(OC)cc1)C
• Title of publication: Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.
• Authors of publication: Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 4940 - 4943
• a: 8.5586 ± 0.0003 Å
• b: 9.2119 ± 0.0003 Å
• c: 27.3349 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2155.11 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No