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Information card for entry 4103702
Preview
| Coordinates | 4103702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C59 H77 B2 Mg N6 O6 |
|---|---|
| Calculated formula | C59 H77 B2 Mg N6 O6 |
| Title of publication | Concerted C-N and C-H Bond Formation in a Magnesium-Catalyzed Hydroamination |
| Authors of publication | James F. Dunne; D. Bruce Fulton; Arkady Ellern; Aaron D. Sadow |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 17680 - 17683 |
| a | 10.8305 ± 0.001 Å |
| b | 16.6235 ± 0.0015 Å |
| c | 17.299 ± 0.0016 Å |
| α | 98.553 ± 0.002° |
| β | 103.684 ± 0.002° |
| γ | 95.163 ± 0.002° |
| Cell volume | 2967 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1061 |
| Residual factor for significantly intense reflections | 0.0814 |
| Weighted residual factors for significantly intense reflections | 0.2077 |
| Weighted residual factors for all reflections included in the refinement | 0.2254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4103702.cif |
| 178783 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/37. |
4103702.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103702.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103702.cif |
| 26735 | 2011-09-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103702 via cif-deposit CGI script. |
4103702.cif |
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Users of the data should acknowledge the original authors of the
structural data.