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Information card for entry 7118005
Preview
| Coordinates | 7118005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 13,17-diethyl-12,18-dimethyl-21,22-dicarbachlorin |
|---|---|
| Chemical name | 13,17-diethyl-12,18-dimethyl-2,3-dihydro-21,22-dicarbaporphyrin |
| Formula | C28 H30 N2 |
| Calculated formula | C28 H30 N2 |
| Title of publication | adj-Dicarbachlorin, the first free base carbaporphyrinoid system with an internal methylene unit |
| Authors of publication | Timothy D. Lash; Deyaa I. AbuSalim; Gregory M. Ferrence |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 15952 |
| a | 9.6391 ± 0.0004 Å |
| b | 11.5516 ± 0.0004 Å |
| c | 19.4951 ± 0.0007 Å |
| α | 80.562 ± 0.002° |
| β | 85.708 ± 0.003° |
| γ | 85.426 ± 0.002° |
| Cell volume | 2130.3 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169758 (current) | 2015-10-27 | cif/ Adding structures of 7118004, 7118005 via cif-deposit CGI script. |
7118005.cif |
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Users of the data should acknowledge the original authors of the
structural data.