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Information card for entry 4123183
Preview
| Coordinates | 4123183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H24 N2 O6 |
|---|---|
| Calculated formula | C32 H24 N2 O6 |
| Title of publication | Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II). |
| Authors of publication | Curto, John M.; Kozlowski, Marisa C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 1 |
| Pages of publication | 18 - 21 |
| a | 6.7034 ± 0.0002 Å |
| b | 10.1139 ± 0.0003 Å |
| c | 19.035 ± 0.0005 Å |
| α | 87.503 ± 0.002° |
| β | 82.219 ± 0.002° |
| γ | 76.286 ± 0.001° |
| Cell volume | 1242.1 ± 0.06 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123183.cif |
| 179033 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/31. |
4123183.cif |
| 130676 | 2015-02-04 | cif/ Updating files of 4123182, 4123183 Original log message: Adding full bibliography for 4123182--4123183.cif. |
4123183.cif |
| 129171 | 2014-12-30 | cif/ Adding structures of 4123183 via cif-deposit CGI script. |
4123183.cif |
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Users of the data should acknowledge the original authors of the
structural data.