Information card for entry 1548416

Structure parameters

• Formula: C19 H30 O5
• Calculated formula: C19 H30 O5
• SMILES: O(C(C)(C)C)C(=O)C1(C(=O)OC(C)(C)C)C[C@@]2(C=O)[C@H](C2(C)C)C1.O(C(C)(C)C)C(=O)C1(C(=O)OC(C)(C)C)C[C@]2(C=O)[C@@H](C2(C)C)C1
• Title of publication: Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic
• Authors of publication: Chaosheng Luo; Zhen Wang; Yong Huang
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 10041
• a: 32.5104 ± 0.0005 Å
• b: 7.542 ± 0.0001 Å
• c: 18.7992 ± 0.0013 Å
• α: 90°
• β: 123.469 ± 0.009°
• γ: 90°
• Cell volume: 3845.1 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.235
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No