Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1502080
Preview
| Coordinates | 1502080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H29 N O Si |
|---|---|
| Calculated formula | C32 H29 N O Si |
| SMILES | c1cccc2c3ccccc3n(c12)/C=C/C#CC(c1ccccc1)(c1ccccc1)O[Si](C)(C)C |
| Title of publication | (E)-9-(2-iodovinyl)-9H-carbazole: a new coupling reagent for the synthesis of π-conjugated carbazoles. |
| Authors of publication | Pawluć, Piotr; Franczyk, Adrian; Walkowiak, Jędrzej; Hreczycho, Grzegorz; Kubicki, Maciej; Marciniec, Bogdan |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 1976 - 1979 |
| a | 8.497 ± 0.002 Å |
| b | 17.41 ± 0.003 Å |
| c | 17.576 ± 0.003 Å |
| α | 90.96 ± 0.02° |
| β | 96.2 ± 0.02° |
| γ | 100.08 ± 0.02° |
| Cell volume | 2543.3 ± 0.9 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.196 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.1833 |
| Weighted residual factors for all reflections included in the refinement | 0.2314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1502080.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502080.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502080.cif |
| 35406 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502080 via cif-deposit CGI script. |
1502080.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.