Information card for entry 8101978

Structure parameters

• Formula: C18 H20 N2
• Calculated formula: C18 H20 N2
• SMILES: [nH]1c2c(c3cc4[C@@H](N(CCc4c(c13)C)C)C)cccc2
• Title of publication: Crystal structure of 1,2,5-trimethyl-1,2,3,4-tetrahydropyrido[4,3- b]carbazole (guatambuine), C~18~H~20~N~2~, from Aspidosperma subincanum Mart.
• Authors of publication: De Simone, C. A.; Malta, V. R. S.; Lamenha, G. S.; Humberto, M. M. S.; Porto, K. R. A.; Sant'Ana, A. E. G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 233 - 234
• a: 11.587 ± 0.005 Å
• b: 8.13 ± 0.005 Å
• c: 15.239 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1435.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No