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Information card for entry 7130095
Preview
Coordinates | 7130095.cif |
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Original paper (by DOI) | HTML |
Formula | C90 H85 N7 Ni O2 |
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Calculated formula | C90 H85 N7 Ni O2 |
Title of publication | 1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives |
Authors of publication | Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J. |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 12.3458 ± 0.0002 Å |
b | 12.981 ± 0.0002 Å |
c | 16.126 ± 0.0003 Å |
α | 109.234 ± 0.002° |
β | 102.943 ± 0.002° |
γ | 103.838 ± 0.002° |
Cell volume | 2236.35 ± 0.09 Å3 |
Cell temperature | 169.99 ± 0.16 K |
Ambient diffraction temperature | 169.99 ± 0.16 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 | 0.0699 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.1933 |
Weighted residual factors for all reflections included in the refinement | 0.1966 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130095.html
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Users of the data should acknowledge the original authors of the
structural data.