Information card for entry 4514343

Structure parameters

• Formula: C18 H18 F2 O4 Se
• Calculated formula: C18 H18 F2 O4 Se
• SMILES: [Se]1[C@H]([C@@H](O)[C@H](O)[C@@H]1COc1ccc(F)cc1)COc1ccc(F)cc1
• Title of publication: Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis
• Authors of publication: See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 850
• a: 6.7417 ± 0.0005 Å
• b: 22.7327 ± 0.0016 Å
• c: 16.9277 ± 0.0011 Å
• α: 90°
• β: 101.477 ± 0.002°
• γ: 90°
• Cell volume: 2542.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No