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Information card for entry 4029667
Preview
Coordinates | 4029667.cif |
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Original paper (by DOI) | HTML |
Formula | C101 H78 N10 Ni2 O2 |
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Calculated formula | C101 H78 N10 Ni2 O2 |
Title of publication | Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins. |
Authors of publication | Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 14 |
Pages of publication | 6424 - 6434 |
a | 10.1608 ± 0.0005 Å |
b | 13.0894 ± 0.0007 Å |
c | 15.4826 ± 0.0008 Å |
α | 75.664 ± 0.002° |
β | 72.801 ± 0.002° |
γ | 86.751 ± 0.002° |
Cell volume | 1905.53 ± 0.17 Å3 |
Cell temperature | 115 K |
Ambient diffraction temperature | 115 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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0976 |
Weighted residual factors for all reflections included in the refinement | 0.1031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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