Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540591
Preview
| Coordinates | 1540591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H31 N O2 |
|---|---|
| Calculated formula | C23 H26 N O2 |
| SMILES | N1(c2c(c3ccccc13)cccc2)C(CCCCCC)OOC(C)(C)C |
| Title of publication | One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere. |
| Authors of publication | Wang, Xinbo; Pan, Yupeng; Huang, Kuo-Wei; Lai, Zhiping |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5630 - 5633 |
| a | 12.335 ± 0.003 Å |
| b | 13.08 ± 0.003 Å |
| c | 12.657 ± 0.003 Å |
| α | 90° |
| β | 102.79 ± 0.03° |
| γ | 90° |
| Cell volume | 1991.4 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1484 |
| Residual factor for significantly intense reflections | 0.1446 |
| Weighted residual factors for significantly intense reflections | 0.4974 |
| Weighted residual factors for all reflections included in the refinement | 0.5083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.694 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170740 (current) | 2015-12-06 | cif/ Adding structures of 1540591 via cif-deposit CGI script. |
1540591.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.