Information card for entry 1546764

Structure parameters

• Formula: C15 H14 O2 Se
• Calculated formula: C15 H14 O2 Se
• SMILES: [Se]([C@@]12O[C@@H](C=C1)[C@H]1C(=O)[C@@H]2CC1)c1ccccc1
• Title of publication: An Asymmetric, Catalytic (4 + 3) Cycloaddition Reaction of Cyclopentenyl Oxyallylic Cations.
• Authors of publication: Topinka, Michael; Zawatzky, Kerstin; Barnes, Charles L.; Welch, Christopher J.; Harmata, Michael
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 4106 - 4109
• a: 5.9869 ± 0.0002 Å
• b: 10.9322 ± 0.0004 Å
• c: 19.3709 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.83 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No