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Information card for entry 4032724
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Coordinates | 4032724.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H29 F12 N5 Ni |
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Calculated formula | C55 H29 F12 N5 Ni |
Title of publication | Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin. |
Authors of publication | Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 16 |
Pages of publication | 8686 - 8696 |
a | 10.5193 ± 0.0007 Å |
b | 14.9054 ± 0.001 Å |
c | 17.3335 ± 0.0011 Å |
α | 72.95 ± 0.005° |
β | 89.888 ± 0.006° |
γ | 80.191 ± 0.006° |
Cell volume | 2557 ± 0.3 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 | 0.1384 |
Residual factor for significantly intense reflections | 0.0904 |
Weighted residual factors for significantly intense reflections | 0.218 |
Weighted residual factors for all reflections included in the refinement | 0.2412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.54187 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/4032724.html
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Users of the data should acknowledge the original authors of the
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