Information card for entry 1546167

Structure parameters

• Formula: C19 H28 O7
• Calculated formula: C19 H28 O7
• SMILES: C1CCCCC1[C@@H]1[C@H]([C@@H](OC21C(=O)OC(OC2=O)(C)C)C)C(=O)OCC.C1CCCCC1[C@H]1[C@@H]([C@H](OC21C(=O)OC(OC2=O)(C)C)C)C(=O)OCC
• 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: 9.945 ± 0.0005 Å
• b: 10.1542 ± 0.0005 Å
• c: 10.9266 ± 0.0006 Å
• α: 73.626 ± 0.002°
• β: 65.348 ± 0.002°
• γ: 74.857 ± 0.002°
• Cell volume: 949.02 ± 0.09 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: 0.0419
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No