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Information card for entry 7121722
Preview
| Coordinates | 7121722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DAR in manuscript |
|---|---|
| Formula | C40 H26 N2 O2 |
| Calculated formula | C40 H26 N2 O2 |
| Title of publication | Synthesis and characterization of two different azarubrenes |
| Authors of publication | Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F. |
| Journal of publication | Chemical Communications |
| Year of publication | 2018 |
| a | 13.9299 ± 0.0007 Å |
| b | 11.201 ± 0.0005 Å |
| c | 18.2839 ± 0.0009 Å |
| α | 90° |
| β | 96.8662 ± 0.0014° |
| γ | 90° |
| Cell volume | 2832.4 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121722.cif |
| 207949 | 2018-05-24 | cif/ Adding structures of 7121721, 7121722, 7121723, 7121724 via cif-deposit CGI script. |
7121722.cif |
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Users of the data should acknowledge the original authors of the
structural data.