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Information card for entry 4021421
Preview
Coordinates | 4021421.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H55 Co N5 O2 |
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Calculated formula | C53 H39 Co N5 O2 |
SMILES | [Co]123([N]4C5C=CC=4C(=C4N1C(C=C4)=C(C1=[N]2C(C=C1)=C(c1cn(c(c31)C5c1ccccc1)CC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1)[n]1ccccc1 |
Title of publication | Facile Peripheral Modification of N-Confused Porphyrin |
Authors of publication | Wenchao Qu; Tang Ding; Anil Cetin; John D. Harvey; Michael J. Taschner; Christopher J. Ziegler |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 811 - 814 |
a | 13.029 ± 0.004 Å |
b | 13.734 ± 0.004 Å |
c | 13.913 ± 0.004 Å |
α | 77.699 ± 0.004° |
β | 79.722 ± 0.004° |
γ | 67.39 ± 0.004° |
Cell volume | 2232.5 ± 1 Å3 |
Cell temperature | 100 ± 2 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 | 0.1643 |
Residual factor for significantly intense reflections | 0.0988 |
Weighted residual factors for significantly intense reflections | 0.2454 |
Weighted residual factors for all reflections included in the refinement | 0.2793 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4021421.html
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