Information card for entry 4033973

Structure parameters

• Formula: C22 H26 O4
• Calculated formula: C22 H26 O4
• SMILES: O(C(=O)[C@]1(C[C@H]2CC[C@@H]1C2)C(=O)O[C@@H]1CCCC=C1c1ccccc1)C.O(C(=O)[C@@]1(C[C@@H]2CC[C@H]1C2)C(=O)O[C@H]1CCCC=C1c1ccccc1)C
• Title of publication: Syn-Dihydroxylation of Alkenes Using a Sterically Demanding Cyclic Diacyl Peroxide.
• Authors of publication: Pilevar, Afsaneh; Hosseini, Abolfazl; Becker, Jonathan; Schreiner, Peter R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 19
• Pages of publication: 12377 - 12386
• a: 7.8299 ± 0.0006 Å
• b: 10.6683 ± 0.0007 Å
• c: 12.3114 ± 0.0008 Å
• α: 94.019 ± 0.003°
• β: 106.392 ± 0.003°
• γ: 111.383 ± 0.002°
• Cell volume: 901.29 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0634
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No