Information card for entry 1546165

Structure parameters

• Formula: C16 H24 O7
• Calculated formula: C16 H24 O7
• SMILES: CCOC(=O)[C@H]1[C@@H](OC2(C(=O)OC(OC2=O)(C)C)[C@@H]1C(C)C)C.CCOC(=O)[C@@H]1[C@H](OC2(C(=O)OC(OC2=O)(C)C)[C@H]1C(C)C)C
• Title of publication: Chemoselective and Diastereoconvergent Cu(II)-Catalyzed Aerobic Endoperoxidation of Polycarbonyls.
• Authors of publication: Giarrusso, James; Do, Dung T.; Johnson, Jeffrey S.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 3107 - 3110
• a: 10.8731 ± 0.0004 Å
• b: 11.2643 ± 0.0004 Å
• c: 14.1668 ± 0.0004 Å
• α: 92.003 ± 0.002°
• β: 93.9208 ± 0.0019°
• γ: 101.502 ± 0.002°
• Cell volume: 1694.2 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No