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Information card for entry 7151287
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| Coordinates | 7151287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 3-bromo-2-methoxy-6-methyl-9H-carbazole |
|---|---|
| Formula | C14 H12 Br N O |
| Calculated formula | C14 H12 Br N O |
| SMILES | Brc1cc2c3cc(ccc3[nH]c2cc1OC)C |
| Title of publication | First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach. |
| Authors of publication | Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2006 |
| Journal volume | 4 |
| Journal issue | 17 |
| Pages of publication | 3215 - 3219 |
| a | 6.642 ± 0.001 Å |
| b | 7.761 ± 0.001 Å |
| c | 11.984 ± 0.005 Å |
| α | 90° |
| β | 105.13 ± 0.03° |
| γ | 90° |
| Cell volume | 596.3 ± 0.3 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151287.cif |
| 180298 | 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 7/15/12. |
7151287.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151287.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151287.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7151287.cif |
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Users of the data should acknowledge the original authors of the
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