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Information card for entry 4022557
Preview
| Coordinates | 4022557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H20 Cl4 N4 Ni O2 |
|---|---|
| Calculated formula | C46 H20 Cl4 N4 Ni O2 |
| Title of publication | Preparation of Six Isomeric Bis-acylporphyrins with Chromophores Reaching the Near-Infrared via Intramolecular Friedel-Crafts Reaction |
| Authors of publication | Sébastien Richeter; Christophe Jeandon; Nathalie Kyritsakas; Romain Ruppert; Henry J. Callot |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2003 |
| Journal volume | 68 |
| Pages of publication | 9200 - 9208 |
| a | 13.5849 ± 0.0003 Å |
| b | 21.3481 ± 0.0007 Å |
| c | 13.4647 ± 0.0003 Å |
| α | 90° |
| β | 107.705 ± 0.005° |
| γ | 90° |
| Cell volume | 3720 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| 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 | 0.073 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.054 |
| Goodness-of-fit parameter for all reflections | 2.787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178404 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/25. |
4022557.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022557.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022557.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4022557.cif |
| 430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022557.cif |
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Users of the data should acknowledge the original authors of the
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