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Information card for entry 1554968
Preview
| Coordinates | 1554968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H56 N8 O8 |
|---|---|
| Calculated formula | C70 H56 N8 O8 |
| Title of publication | Quaterpyrroles as building blocks for the synthesis of expanded porphyrins. |
| Authors of publication | Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2194 - 2197 |
| a | 11.446 ± 0.002 Å |
| b | 13.451 ± 0.003 Å |
| c | 22.036 ± 0.004 Å |
| α | 98.71 ± 0.03° |
| β | 104.3 ± 0.03° |
| γ | 98.36 ± 0.03° |
| Cell volume | 3189.9 ± 1.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1175 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2998 |
| Weighted residual factors for all reflections included in the refinement | 0.3166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238242 (current) | 2019-11-24 | cif/ Adding structures of 1554968 via cif-deposit CGI script. |
1554968.cif |
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Users of the data should acknowledge the original authors of the
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