Information card for entry 4031075

Structure parameters

• Formula: C34 H57 O7
• Calculated formula: C34 H56.992 O7
• SMILES: O[C@]12CC[C@H](OC(=O)C)C[C@@]1(C)[C@H](OC(=O)C)C[C@@H]1C2=C[C@H](O)[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)C.OCCC
• Title of publication: Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf.
• Authors of publication: Jastrzębska, Izabella; Morawiak, Maja; Rode, Joanna E.; Seroka, Barbara; Siergiejczyk, Leszek; Morzycki, Jacek W.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 6052 - 6061
• a: 17.1991 ± 0.0006 Å
• b: 32.3567 ± 0.0012 Å
• c: 5.9359 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3303.4 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No