Information card for entry 4132197

Structure parameters

• Formula: C28 H29 N O4
• Calculated formula: C28 H29 N O4
• SMILES: O(c1cc2c(cc1)C(=C(NC(=O)OC(C)(C)C)[C@H]2c1ccccc1)c1ccc(OC)cc1)C
• Title of publication: Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.
• Authors of publication: Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 17
• Pages of publication: 5834 - 5841
• a: 5.264 ± 0.0011 Å
• b: 20.199 ± 0.004 Å
• c: 11.328 ± 0.002 Å
• α: 90°
• β: 99.87 ± 0.03°
• γ: 90°
• Cell volume: 1186.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.064
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No