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Information card for entry 7127484
Preview
| Coordinates | 7127484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H56 |
|---|---|
| Calculated formula | C70 H56 |
| Title of publication | Isoacenofuran: a novel quinoidal building block for efficient access to high-ordered polyacene derivatives. |
| Authors of publication | Kitamura, Kei; Kudo, Ryoji; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 95 |
| Pages of publication | 14988 - 14991 |
| a | 8.80384 ± 0.00016 Å |
| b | 9.18711 ± 0.00017 Å |
| c | 30.3074 ± 0.0006 Å |
| α | 90° |
| β | 96.5951 ± 0.001° |
| γ | 90° |
| Cell volume | 2435.1 ± 0.08 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1527 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.2264 |
| Weighted residual factors for all reflections included in the refinement | 0.2787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259642 (current) | 2020-12-08 | cif/ Adding structures of 7127484 via cif-deposit CGI script. |
7127484.cif |
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Users of the data should acknowledge the original authors of the
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