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Information card for entry 7153379
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| Coordinates | 7153379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Etil 2-(3-((4-Ciclohexilmetil)-1-piperazinil)-carbonil)- fenil)-8,9-dimetoxi-3-metil-5,6-dihidropirrolo(2,1-a)-isoquinolin-1- carboxilato |
|---|---|
| Chemical name | Etil 2-(3-{[4-Ciclohexilmetil)-1-piperazinil]-carbonil}-fenil)-8,9- dimetoxi-3-metil-5,6-dihidropirrolo[2,1-a]-isoquinolin-1-carboxilato |
| Formula | C36 H45 N3 O5 |
| Calculated formula | C36 H45 N3 O5 |
| Title of publication | Synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines featuring an intramolecular radical-oxidative cyclization of polysubstituted pyrroles, and evaluation of their cytotoxic activity. |
| Authors of publication | Reyes-Gutiérrez, Paul E; Camacho, José R; Ramírez-Apan, Maria Teresa; Osornio, Yazmin M.; Martínez, Roberto |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2010 |
| Journal volume | 8 |
| Journal issue | 19 |
| Pages of publication | 4374 - 4382 |
| a | 10.4 ± 0.001 Å |
| b | 11.217 ± 0.001 Å |
| c | 27.8 ± 0.002 Å |
| α | 90° |
| β | 96.122 ± 0.001° |
| γ | 90° |
| Cell volume | 3224.6 ± 0.5 Å3 |
| 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 | 0.1118 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180319 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/33. |
7153379.cif |
| 93248 | 2014-01-12 | cif/ Adding structures of 7153379 via cif-deposit CGI script. |
7153379.cif |
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Users of the data should acknowledge the original authors of the
structural data.