Information card for entry 1100233

Structure parameters

• Chemical name: 3-(2,3,3a,4,5,11a-Hexahydrobenzo(f)furo(3,2-c)quinolin-4-yl)-1-propanol
• Formula: C18 H21 N O2
• Calculated formula: C18 H21 N O2
• SMILES: O1[C@H]2c3c(N[C@@H]([C@H]2CC1)CCCO)ccc1ccccc31.O1[C@@H]2c3c(N[C@H]([C@@H]2CC1)CCCO)ccc1ccccc31
• Authors of publication: Harms, K.; Boche, G.; Marsch, M.
• Journal of publication: Private Communication
• Year of publication: 2001
• a: 8.449 ± 0.001 Å
• b: 9.895 ± 0.0007 Å
• c: 17.837 ± 0.002 Å
• α: 90°
• β: 101.507 ± 0.006°
• γ: 90°
• Cell volume: 1461.25 ų
• Ambient diffraction temperature: 193 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: 3.83
• Weighted residual factors for significantly intense reflections: 3.83
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No