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Information card for entry 4134789
Preview
Coordinates | 4134789.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C140 H120 F48 N12 O4 P8 Zn |
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Calculated formula | C140 H120 F48 N12 O4 P8 Zn |
Title of publication | Cyclophane-Sustained Ultrastable Porphyrins. |
Authors of publication | Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 14.6658 ± 0.0016 Å |
b | 17.54 ± 0.002 Å |
c | 19.039 ± 0.0019 Å |
α | 108.894 ± 0.008° |
β | 106.654 ± 0.008° |
γ | 102.13 ± 0.008° |
Cell volume | 4184 ± 0.9 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 298.97 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1265 |
Residual factor for significantly intense reflections | 0.0928 |
Weighted residual factors for significantly intense reflections | 0.2544 |
Weighted residual factors for all reflections included in the refinement | 0.2863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
251095 (current) | 2020-04-23 | cif/ Adding structures of 4134789 via cif-deposit CGI script. |
4134789.cif |
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Users of the data should acknowledge the original authors of the
structural data.