Information card for entry 2011708

Structure parameters

• Common name: 3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.
• Chemical name: 3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.
• Formula: C17 H16 N2 O2
• Calculated formula: C17 H16 N2 O2
• SMILES: c1cccc2c1c1c(C3CC(=O)C(=CN3CC1)C(=O)C)[nH]2
• Title of publication: Hydrogen bonding in two tetracyclic indole alkaloids
• Authors of publication: Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 97 - 99
• a: 8.169 ± 0.016 Å
• b: 12.841 ± 0.003 Å
• c: 14.772 ± 0.003 Å
• α: 72.6 ± 0.03°
• β: 75.54 ± 0.03°
• γ: 72.64 ± 0.03°
• Cell volume: 1389 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes