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Information card for entry 1520301
Preview
| Coordinates | 1520301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H58.333 N5 O |
|---|---|
| Calculated formula | C40.9994 H58.3322 N4.99998 O |
| Title of publication | Octaethyl-1,3-oxazinochlorin: A β-Octaethylchlorin Analogue Made by Pyrrole Expansion. |
| Authors of publication | Meehan, Eileen; Li, Ruoshi; Zeller, Matthias; Brückner, Christian |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 2210 - 2213 |
| a | 26.0651 ± 0.0012 Å |
| b | 15.2582 ± 0.0007 Å |
| c | 9.5468 ± 0.0005 Å |
| α | 90° |
| β | 96.584 ± 0.002° |
| γ | 90° |
| Cell volume | 3771.8 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138028 (current) | 2015-06-05 | cif/ Adding structures of 1520301 via cif-deposit CGI script. |
1520301.cif |
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Users of the data should acknowledge the original authors of the
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