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Information card for entry 7156912
Preview
| Coordinates | 7156912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 N2 O4 |
|---|---|
| Calculated formula | C10 H12 N2 O4 |
| Title of publication | Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D. |
| Authors of publication | Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 26 |
| Pages of publication | 6489 - 6496 |
| a | 7.6784 ± 0.0005 Å |
| b | 7.8448 ± 0.0005 Å |
| c | 9.1114 ± 0.0006 Å |
| α | 91.933 ± 0.004° |
| β | 101.72 ± 0.002° |
| γ | 105.491 ± 0.004° |
| Cell volume | 515.61 ± 0.06 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0782 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225122 (current) | 2019-11-08 | cif/ Updating files of 7156910, 7156911, 7156912, 7156913 Original log message: Adding full bibliography for 7156910--7156913.cif. |
7156912.cif |
| 215911 | 2019-06-13 | cif/ Adding structures of 7156910, 7156911, 7156912, 7156913 via cif-deposit CGI script. |
7156912.cif |
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Users of the data should acknowledge the original authors of the
structural data.