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Information card for entry 1507683
Preview
| Coordinates | 1507683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C23 H23 N O2 |
|---|---|
| Calculated formula | C23 H23 N O2 |
| SMILES | O[C@]1(CN(Cc2c1cccc2)c1ccc(OC)cc1)c1ccccc1C |
| Title of publication | Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones. |
| Authors of publication | Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2548 - 2551 |
| a | 8.60756 ± 0.00004 Å |
| b | 13.28654 ± 0.00006 Å |
| c | 16.01937 ± 0.00007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1832.05 ± 0.014 Å3 |
| Cell temperature | 121 ± 2 K |
| Ambient diffraction temperature | 121 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507683.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507683.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507683.cif |
| 113498 | 2014-05-13 | cif/ Updating files of 1507683, 1507684 Original log message: Adding full bibliography for 1507683--1507684.cif. |
1507683.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507683.cif |
| 59783 | 2012-06-13 | cif/ Adding structures of 1507683 via cif-deposit CGI script. |
1507683.cif |
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Users of the data should acknowledge the original authors of the
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