Information card for entry 4031555

Structure parameters

• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: O[C@H]1[C@@H]2N(Cc3ccc(OC)cc3)[C@@H](C[C@@H]2O)CCC1.O[C@@H]1[C@H]2N(Cc3ccc(OC)cc3)[C@H](C[C@H]2O)CCC1
• 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: 7.012 ± 0.0002 Å
• b: 9.5343 ± 0.0003 Å
• c: 21.2709 ± 0.0008 Å
• α: 90°
• β: 93.439 ± 0.003°
• γ: 90°
• Cell volume: 1419.49 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No