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Information card for entry 1502079
Preview
| Coordinates | 1502079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9-[(E)-2-iodoethenyl]-9H-carbazole |
|---|---|
| Formula | C14 H10 I N |
| Calculated formula | C14 H10 I N |
| SMILES | c1cccc2c3ccccc3n(c12)/C=C/I |
| 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 | 23.8893 ± 0.001 Å |
| b | 5.446 ± 0.0002 Å |
| c | 19.6525 ± 0.0007 Å |
| α | 90° |
| β | 112.514 ± 0.005° |
| γ | 90° |
| Cell volume | 2361.95 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
1502079.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502079.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502079.cif |
| 35405 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502079 via cif-deposit CGI script. |
1502079.cif |
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