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Information card for entry 1545887
Preview
| Coordinates | 1545887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 N2 O10 |
|---|---|
| Calculated formula | C28 H28 N2 O10 |
| SMILES | [C@@]123CCC4(C[C@@]1(C[C@H](C2)OC(=O)c1ccc(cc1)N(=O)=O)CC[C@@H]3OC(=O)c1ccc(cc1)N(=O)=O)OCCO4 |
| Title of publication | Asymmetric Synthesis of Carbocyclic Propellanes. |
| Authors of publication | Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| a | 7.3394 ± 0.0005 Å |
| b | 12.4108 ± 0.0008 Å |
| c | 14.7998 ± 0.0013 Å |
| α | 107.312 ± 0.005° |
| β | 100.068 ± 0.005° |
| γ | 91.14 ± 0.005° |
| Cell volume | 1263.48 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195826 (current) | 2017-04-28 | cif/ Adding structures of 1545887 via cif-deposit CGI script. |
1545887.cif |
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Users of the data should acknowledge the original authors of the
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