Information card for entry 4020803

Structure parameters

• Formula: C18 H25 N O4
• Calculated formula: C18 H25 N O4
• SMILES: O1C2[C@H]3[C@@H](CC4(N(C=2)C(=O)C)CCCCC4)C[C@@H]1[C@H]3OC(=O)C.O1C2[C@@H]3[C@H](CC4(N(C=2)C(=O)C)CCCCC4)C[C@H]1[C@@H]3OC(=O)C
• Title of publication: Wagner-Meerwein Skeletal Rearrangement of 3-Spiroannulated 6,8a-Epoxy- and 6,8a;7,8-Diepoxyisoquinolines (3-Aza-11-oxatricyclo[6.2.1.0^1,6^]undec-9-enes). Isolation and Identification of 5-Aza-2-oxatricyclo[6.2.1.0^3,9^]undec-3-enes
• Authors of publication: Fedor I. Zubkov; Eugenia V. Nikitina; Konstantin F. Turchin; Grigorii G. Aleksandrov; Anastasia A. Safronova; Roman S. Borisov; Alexey V. Varlamov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 432 - 438
• a: 9.1726 ± 0.0017 Å
• b: 9.903 ± 0.0019 Å
• c: 10.0782 ± 0.0019 Å
• α: 112.099 ± 0.003°
• β: 101.216 ± 0.004°
• γ: 96.596 ± 0.004°
• Cell volume: 814 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No