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Information card for entry 4123224
Preview
| Coordinates | 4123224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4 |
|---|---|
| Formula | C30 H58 N3 O Si4 Y |
| Calculated formula | C30 H58 N3 O Si4 Y |
| Title of publication | Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes. |
| Authors of publication | Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 2 |
| Pages of publication | 640 - 643 |
| a | 11.082 ± 0.006 Å |
| b | 17.774 ± 0.009 Å |
| c | 19.16 ± 0.01 Å |
| α | 90° |
| β | 93.361 ± 0.006° |
| γ | 90° |
| Cell volume | 3767 ± 3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4123224.cif |
| 179034 | 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 4/12/32. |
4123224.cif |
| 130650 | 2015-02-04 | cif/ Updating files of 4123224, 4123225, 4123226 Original log message: Adding full bibliography for 4123224--4123226.cif. |
4123224.cif |
| 129815 | 2015-01-17 | cif/ Adding structures of 4123224, 4123225, 4123226 via cif-deposit CGI script. |
4123224.cif |
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Users of the data should acknowledge the original authors of the
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