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Information card for entry 4036291
Preview
| Coordinates | 4036291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4b in manuscript |
|---|---|
| Formula | C33 H36 Cl3 N O9 |
| Calculated formula | C33 H36 Cl3 N O9 |
| Title of publication | An Oxidative Macrobicyclic Ring Opening of a Triptycene to a Highly Functionalized Fluorene Derivative. |
| Authors of publication | Baumgärtner, Kevin; Rominger, Frank; Mastalerz, Michael |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 17 |
| Pages of publication | 8881 - 8886 |
| a | 9.9084 ± 0.0006 Å |
| b | 10.3825 ± 0.0007 Å |
| c | 17.9777 ± 0.0011 Å |
| α | 106.418 ± 0.0016° |
| β | 96.8036 ± 0.0016° |
| γ | 102.945 ± 0.0016° |
| Cell volume | 1695.94 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234518 (current) | 2019-11-23 | cif/ Adding structures of 4036291, 4036292 via cif-deposit CGI script. |
4036291.cif |
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Users of the data should acknowledge the original authors of the
structural data.