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Information card for entry 1554971
Preview
| Coordinates | 1554971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H30 N4 O4 |
|---|---|
| Calculated formula | C34 H30 N4 O4 |
| 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 | 7.3964 ± 0.0015 Å |
| b | 23.302 ± 0.005 Å |
| c | 16.073 ± 0.003 Å |
| α | 90° |
| β | 94.05 ± 0.03° |
| γ | 90° |
| Cell volume | 2763.3 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554971.cif |
| 238245 | 2019-11-24 | cif/ Adding structures of 1554971 via cif-deposit CGI script. |
1554971.cif |
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Users of the data should acknowledge the original authors of the
structural data.