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Information card for entry 7111726
Preview
| Coordinates | 7111726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 6-KetoMes-NH3 |
|---|---|
| Formula | C24.5 H32 Cl N3 O2 |
| Calculated formula | C24.5 H32 Cl N3 O2 |
| Title of publication | Ammonia N–H activation by a N,N′-diamidocarbene |
| Authors of publication | Hudnall, Todd W.; Moerdyk, Jonathan P.; Bielawski, Christopher W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 24 |
| Pages of publication | 4288 - 4290 |
| a | 15.7619 ± 0.0011 Å |
| b | 25.7674 ± 0.0018 Å |
| c | 11.6636 ± 0.0009 Å |
| α | 90° |
| β | 92.97 ± 0.002° |
| γ | 90° |
| Cell volume | 4730.7 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7111726.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7111726.cif |
| 96753 | 2014-01-29 | cif/ Adding structures of 7111724, 7111725, 7111726, 7111727, 7111728 via cif-deposit CGI script. |
7111726.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.