Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7118232
Preview
| Coordinates | 7118232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30 Br N3 O5 |
|---|---|
| Calculated formula | C31 H30 Br N3 O5 |
| Title of publication | Asymmetric synthesis of 3,3'-pyrrolidinyl-dispirooxindoles via a one-pot organocatalytic Mannich/deprotection/aza-Michael sequence. |
| Authors of publication | Zhao, Kun; Zhi, Ying; Li, Xinyi; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2249 - 2252 |
| a | 14.6406 ± 0.0002 Å |
| b | 9.57209 ± 0.00015 Å |
| c | 19.5953 ± 0.0003 Å |
| α | 90° |
| β | 97.003 ± 0.0014° |
| γ | 90° |
| Cell volume | 2725.62 ± 0.07 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175893 (current) | 2016-02-04 | cif/ Updating files of 7118232 Original log message: Adding full bibliography for 7118232.cif. |
7118232.cif |
| 171862 | 2016-01-01 | cif/ Adding structures of 7118232 via cif-deposit CGI script. |
7118232.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.