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Information card for entry 4129213
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Coordinates | 4129213.cif |
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Original paper (by DOI) | HTML |
Formula | C90 H137 N17 O3 |
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Calculated formula | C89 H23 N17 O3 |
Title of publication | Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units. |
Authors of publication | Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 17.589 Å |
b | 27.1959 Å |
c | 19.5849 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9368.41 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.3446 |
Residual factor for significantly intense reflections | 0.1066 |
Weighted residual factors for significantly intense reflections | 0.239 |
Weighted residual factors for all reflections included in the refinement | 0.3173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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231176 (current) | 2019-11-22 | cif/ Adding structures of 4129213 via cif-deposit CGI script. |
4129213.cif |
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