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Information card for entry 4022556
Preview
| Coordinates | 4022556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H127 Cl N8 Ni2 O7 |
|---|---|
| Calculated formula | C131.5 H94 Cl N8 Ni2 O6.5 |
| 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 | 16.3155 ± 0.0003 Å |
| b | 17.4682 ± 0.0003 Å |
| c | 21.2009 ± 0.0005 Å |
| α | 91.986 ± 0.005° |
| β | 95.875 ± 0.005° |
| γ | 98.608 ± 0.005° |
| Cell volume | 5935.2 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.192 |
| Residual factor for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections | 0.568 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections | 6.95 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.263 |
| 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. |
4022556.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022556.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022556.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. |
4022556.cif |
| 430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022556.cif |
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Users of the data should acknowledge the original authors of the
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