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Information card for entry 7150552
Preview
| Coordinates | 7150552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N O |
|---|---|
| Calculated formula | C18 H17 N O |
| SMILES | O=C1N2C(c3c(Cc4c1cccc4)cccc3)CCC2 |
| Title of publication | A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation |
| Authors of publication | King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 167 - 177 |
| a | 9.3106 ± 0.0008 Å |
| b | 10.415 ± 0.0009 Å |
| c | 16.0747 ± 0.0014 Å |
| α | 75.949 ± 0.001° |
| β | 88.805 ± 0.001° |
| γ | 63.586 ± 0.001° |
| Cell volume | 1347.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180291 (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 7/15/05. |
7150552.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150552.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150552.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150552.cif |
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Users of the data should acknowledge the original authors of the
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