Information card for entry 2214378

Structure parameters

• Chemical name: 2-(2,2-Dimethoxyethyl)-3-oxo-1,2,3,4,5,6-hexahydro-1,5-methano- 7H-azocino[4,3-b]indole
• Formula: C18 H22 N2 O3
• Calculated formula: C18 H22 N2 O3
• SMILES: O=C1N([C@H]2c3c(C[C@@H](C1)C2)[nH]c1ccccc31)CC(OC)OC.O=C1N([C@@H]2c3c(C[C@H](C1)C2)[nH]c1ccccc31)CC(OC)OC
• Title of publication: 2-(2,2-Dimethoxyethyl)-3-oxo-1,2,3,4,5,6-hexahydro-1,5-methano-7<i>H</i>-azocino[4,3-<i>b</i>]indole
• Authors of publication: Hökelek, Tuncer; Şahin, Ertan; Uludağ, Nesimi; Erdoğan, Ümit Işık
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3268 - o3268
• a: 10.0347 ± 0.0004 Å
• b: 8.4616 ± 0.0007 Å
• c: 20.1168 ± 0.0009 Å
• α: 90°
• β: 103.75 ± 0.003°
• γ: 90°
• Cell volume: 1659.16 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes