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Information card for entry 1507835
Preview
| Coordinates | 1507835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H17 Br N2 O3 |
|---|---|
| Calculated formula | C19 H17 Br N2 O3 |
| Title of publication | Rhodium-catalyzed asymmetric formal cycloadditions of racemic butadiene monoxide with imines. |
| Authors of publication | Liu, Zhaoqun; Feng, Xiangqing; Du, Haifeng |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3154 - 3157 |
| a | 10.975 ± 0.002 Å |
| b | 20.829 ± 0.004 Å |
| c | 11.516 ± 0.002 Å |
| α | 90° |
| β | 97.85 ± 0.03° |
| γ | 90° |
| Cell volume | 2607.9 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0538 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1507835.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. |
1507835.cif |
| 113529 | 2014-05-13 | cif/ Updating files of 1507835 Original log message: Adding full bibliography for 1507835.cif. |
1507835.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507835.cif |
| 62323 | 2012-07-07 | cif/ Adding structures of 1507835 via cif-deposit CGI script. |
1507835.cif |
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Users of the data should acknowledge the original authors of the
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