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Information card for entry 4116350
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| Coordinates | 4116350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N-Fused |
|---|---|
| Formula | C44 H27 Br N4 |
| Calculated formula | C44 H27 Br N4 |
| Title of publication | "N-Fused Porphyrin" from N-Confused Porphyrin |
| Authors of publication | Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Takuji Ogawa |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 2945 - 2946 |
| a | 21.119 ± 0.003 Å |
| b | 12.021 ± 0.004 Å |
| c | 12.901 ± 0.003 Å |
| α | 90° |
| β | 94° |
| γ | 90 ± 1° |
| Cell volume | 3267.2 ± 1.4 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0 |
| Weighted residual factors for all reflections included in the refinement | 0.04 |
| Goodness-of-fit parameter for all reflections | 1.689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.69 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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