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Information card for entry 2000722
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-methoxycarbonyl-8,9-methylenedioxy-1,2,5,6,10b-pentahydro-2- oxobenzo[d]cyclopen[b]azepine |
|---|---|
| Formula | C16 H15 N O5 |
| Calculated formula | C16 H15 N O5 |
| SMILES | O=C1CC2C(=C1)N(CCc1cc3OCOc3cc21)C(=O)OC |
| Title of publication | Methyl 1,2,4,5,6,10b-hexahydro-8,9-methylenedioxy-2-oxobenzo[<i>d</i>]cyclopenta[<i>b</i>]azepine-4-carboxylate |
| Authors of publication | Robinson, P. D.; Hua, D. H.; Hong, Y.; Miao, S. W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 8 |
| Pages of publication | 1549 - 1551 |
| a | 8.81 ± 0.002 Å |
| b | 9.231 ± 0.003 Å |
| c | 9.34 ± 0.002 Å |
| α | 84.48 ± 0.02° |
| β | 75.88 ± 0.02° |
| γ | 66.49 ± 0.02° |
| Cell volume | 675.5 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Goodness-of-fit parameter for significantly intense reflections | 1.32 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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