Information card for entry 4514341

Structure parameters

• Formula: C25 H21 F N2 O7 Se
• Calculated formula: C25 H21 F N2 O7 Se
• SMILES: [Se](C[C@@]1(C[C@@H](CO1)COC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)c1ccccc1F)c1ccccc1
• 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: 9.722 ± 0.002 Å
• b: 6.1683 ± 0.0014 Å
• c: 19.747 ± 0.004 Å
• α: 90°
• β: 102.561 ± 0.004°
• γ: 90°
• Cell volume: 1155.8 ± 0.4 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No