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Information card for entry 4036292
Preview
| Coordinates | 4036292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4d in manuscript |
|---|---|
| Formula | C36.5 H43.5 Cl1.5 N O9 |
| Calculated formula | C36.5 H43.5 Cl1.5 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 | 9.7517 ± 0.0011 Å |
| b | 22.499 ± 0.003 Å |
| c | 32.974 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7234.6 ± 1.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1023 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.2004 |
| Weighted residual factors for all reflections included in the refinement | 0.2191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4036292.cif |
| 234518 | 2019-11-23 | cif/ Adding structures of 4036291, 4036292 via cif-deposit CGI script. |
4036292.cif |
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Users of the data should acknowledge the original authors of the
structural data.