Information card for entry 4130249

Structure parameters

• Formula: C26 H33 N O5
• Calculated formula: C26 H33 N O5
• SMILES: O(C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)[C@@H]1c2c(ccc(OC)c2)CC1(C)C
• Title of publication: A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.
• Authors of publication: Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 16
• Pages of publication: 5206 - 5209
• a: 25.1792 ± 0.0005 Å
• b: 9.4169 ± 0.0002 Å
• c: 32.0162 ± 0.0006 Å
• α: 90°
• β: 105.52 ± 0.001°
• γ: 90°
• Cell volume: 7314.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1311
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No