Information card for entry 4031554

Structure parameters

• Formula: C16 H25 N O6
• Calculated formula: C16 H25 N O6
• SMILES: O(C(=O)C)[C@H]1C2N(C(=O)OC(C)(C)C)CC(C[C@@H]2OC(=O)C)C1
• Title of publication: General Approach to Nitrogen-Bridged Bicyclic Frameworks by Rh-Catalyzed Formal Carbenoid Insertion into an Amide C-N Bond.
• Authors of publication: Harada, Shingo; Kono, Masato; Nozaki, Tomoyuki; Menjo, Yasuhiro; Nemoto, Tetsuhiro; Hamada, Yasumasa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 10317 - 10333
• a: 9.6378 ± 0.0005 Å
• b: 10.0839 ± 0.0005 Å
• c: 10.0864 ± 0.0005 Å
• α: 90.206 ± 0.004°
• β: 103.919 ± 0.003°
• γ: 115.144 ± 0.003°
• Cell volume: 855.05 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No