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Information card for entry 2011708
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| Coordinates | 2011708.cif |
|---|---|
| Structure factors | 2011708.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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