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Information card for entry 4134700
Preview
Coordinates | 4134700.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H31 B Cl2 N8 O |
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Calculated formula | C45 H31 B Cl2 N8 O |
Title of publication | Synthesis and Optical Features of Axially and Peripherally Substituted Subporphyrins. A Paradigmatic Example of Charge Transfer versus Exciplex States. |
Authors of publication | Winterfeld, Kim A.; Lavarda, Giulia; Yoshida, Kota; Bayerlein, Maximilian J.; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 17 |
Pages of publication | 7920 - 7929 |
a | 12.657 ± 0.004 Å |
b | 12.75 ± 0.004 Å |
c | 13.869 ± 0.005 Å |
α | 108.039 ± 0.001° |
β | 115.597 ± 0.008° |
γ | 93.053 ± 0.003° |
Cell volume | 1873 ± 1.1 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0909 |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for significantly intense reflections | 0.1714 |
Weighted residual factors for all reflections included in the refinement | 0.1878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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