Information card for entry 1554839

Structure parameters

• Formula: C17 H16 O2 Se
• Calculated formula: C17 H16 O2 Se
• SMILES: [Se](C[C@]1(OC(=O)CC1)c1ccccc1)c1ccccc1
• Title of publication: Catalytic and highly enantioselective selenolactonization.
• Authors of publication: Niu, Wenxue; Yeung, Ying-Yeung
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1660 - 1663
• a: 6.9078 ± 0.0004 Å
• b: 10.3981 ± 0.0006 Å
• c: 10.0732 ± 0.0006 Å
• α: 90°
• β: 95.471 ± 0.0017°
• γ: 90°
• Cell volume: 720.24 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No