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Information card for entry 4087696
Preview
| Coordinates | 4087696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H42 B Mo N9 O4 |
|---|---|
| Calculated formula | C32 H42 B Mo N9 O4 |
| Title of publication | Synthesis of 2-Substituted 1,2-Dihydronaphthalenes and 1,2-Dihydroanthracenes Using a Recyclable Molybdenum Dearomatization Agent |
| Authors of publication | Myers, Jeffery T.; Shivokevich, Philip J.; Pienkos, Jared A.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 14 |
| Pages of publication | 3648 |
| a | 13.4488 ± 0.0009 Å |
| b | 21.3636 ± 0.0015 Å |
| c | 24.1495 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6938.5 ± 0.8 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236926 (current) | 2019-11-24 | cif/ Adding structures of 4087696 via cif-deposit CGI script. |
4087696.cif |
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Users of the data should acknowledge the original authors of the
structural data.