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Information card for entry 4031911
Preview
| Coordinates | 4031911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H17 Cl2 N O |
|---|---|
| Calculated formula | C21 H17 Cl2 N O |
| SMILES | Oc1c(c2c(cc1)cccc2)c1c(N)ccc2ccccc12.ClCCl |
| Title of publication | Gram Scale Conversion of R-BINAM to R-NOBIN. |
| Authors of publication | Patel, Darshan C.; Breitbach, Zachary S.; Woods, Ross M.; Lim, Yeeun; Wang, Andy; Jr, Frank W Foss; Armstrong, Daniel W. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 3 |
| Pages of publication | 1295 - 1299 |
| a | 9.0085 ± 0.0005 Å |
| b | 11.9601 ± 0.0007 Å |
| c | 16.9214 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1823.15 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.198 |
| Weighted residual factors for all reflections included in the refinement | 0.2057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.321 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177248 (current) | 2016-03-04 | cif/ Adding structures of 4031911 via cif-deposit CGI script. |
4031911.cif |
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Users of the data should acknowledge the original authors of the
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