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Information card for entry 1545670
Preview
| Coordinates | 1545670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H26 N4 O3 Pd |
|---|---|
| Calculated formula | C35 H26 N4 O3 Pd |
| SMILES | c12cccc3c4cccc5C(c6ccccc6)=c6ccc7=Cc8ccc(=C1c1ccccc1)[n]8[Pd]([n]45)([n]23)n67.O.C(=O)(C)[O-] |
| Title of publication | Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers |
| Authors of publication | Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 8.9811 ± 0.0001 Å |
| b | 11.1167 ± 0.0001 Å |
| c | 27.2624 ± 0.0003 Å |
| α | 90° |
| β | 99.056 ± 0.001° |
| γ | 90° |
| Cell volume | 2687.95 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1731 |
| Weighted residual factors for all reflections included in the refinement | 0.1875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194672 (current) | 2017-04-04 | cif/ Adding structures of 1545669, 1545670, 1545671, 1545672 via cif-deposit CGI script. |
1545670.cif |
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