Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543599
Preview
| Coordinates | 1543599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 Br Cl N2 O4 S2 |
|---|---|
| Calculated formula | C28 H20 Br Cl N2 O4 S2 |
| Title of publication | Cu(OAc)2-Mediated Cascade Annulation of Diarylalkyne Sulfonamides through Dual C-N Bond Formation: Synthesis of 5,10-Dihydroindolo[3,2-b]indoles. |
| Authors of publication | Yu, Junchao; Zhang-Negrerie, Daisy; Du, Yunfei |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 14 |
| Pages of publication | 3322 - 3325 |
| a | 5.4375 ± 0.0008 Å |
| b | 10.0119 ± 0.0015 Å |
| c | 22.541 ± 0.003 Å |
| α | 90° |
| β | 94.174 ± 0.003° |
| γ | 90° |
| Cell volume | 1223.9 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184986 (current) | 2016-08-05 | cif/ Updating files of 1543599 Original log message: Adding full bibliography for 1543599.cif. |
1543599.cif |
| 184134 | 2016-07-02 | cif/ Adding structures of 1543599 via cif-deposit CGI script. |
1543599.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.