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Information card for entry 4032620
Preview
Coordinates | 4032620.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H39 N5 O2 S2 Zn |
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Calculated formula | C47 H39 N5 O2 S2 Zn |
Title of publication | Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings. |
Authors of publication | Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
a | 20.7707 ± 0.0001 Å |
b | 12.2277 ± 0.0001 Å |
c | 15.6407 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3972.39 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0269 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for all reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.0652 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0008 |
Diffraction radiation wavelength | 1.5418 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/4032620.html
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