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Information card for entry 7150575
Preview
| Coordinates | 7150575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C16 H24 Br N O |
|---|---|
| Calculated formula | C16 H24 Br N O |
| SMILES | c1(ccc(OC)cc1)C[NH2+]CCC1=CCCCC1.[Br-] |
| Title of publication | Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines |
| Authors of publication | Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 986 - 995 |
| a | 29.078 ± 0.007 Å |
| b | 4.8656 ± 0.0012 Å |
| c | 22.535 ± 0.005 Å |
| α | 90° |
| β | 96.268 ± 0.005° |
| γ | 90° |
| Cell volume | 3169.2 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
7150575.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7150575.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150575.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150575.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150575.cif |
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Users of the data should acknowledge the original authors of the
structural data.