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Information card for entry 1547054
Preview
| Coordinates | 1547054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 N2 O2 |
|---|---|
| Calculated formula | C11 H16 N2 O2 |
| SMILES | O=C1C(=N#N)[C@@]2(O)[C@@](CC1)(CCCC2)C.O=C1C(=N#N)[C@]2(O)[C@](CC1)(CCCC2)C |
| Title of publication | Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones. |
| Authors of publication | Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 4464 - 4467 |
| a | 24.608 ± 0.007 Å |
| b | 7.147 ± 0.002 Å |
| c | 12.285 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2160.6 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200563 (current) | 2017-09-12 | cif/ Adding structures of 1547054 via cif-deposit CGI script. |
1547054.cif |
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Users of the data should acknowledge the original authors of the
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