Information card for entry 4032424

Structure parameters

• Formula: C23 H25 N O4
• Calculated formula: C23 H25 N O4
• SMILES: O(C(C)(C)C)C(=O)N[C@@H]1[C@@H](OC(=O)c2cccc(C)c2)C=Cc2c1cccc2
• Title of publication: Iridium-Catalyzed Anti-Stereoselective Asymmetric Ring-Opening Reactions of Azabenzonorbornadienes with Carboxylic Acids.
• Authors of publication: Zhu, Meina; Chen, Jingchao; He, Xiaobo; Gu, Cuiping; Xu, Jianbin; Fan, Baomin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 3167 - 3172
• a: 9.6023 ± 0.0008 Å
• b: 11.2451 ± 0.0009 Å
• c: 19.0201 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No