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Information card for entry 4072441
Preview
| Coordinates | 4072441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H43 I N2 O |
|---|---|
| Calculated formula | C27 H41 I N2 O |
| SMILES | [I-].[N+](=CN(c1c(cccc1C(C)C)C(C)C)C)(c1c(cccc1C(C)C)C(C)C)C.O |
| Title of publication | Synthesis and Study of the First N-Aryl Acyclic Diaminocarbene and Its Transition-Metal Complexes |
| Authors of publication | Rosen, Evelyn L.; Sanderson, Matthew D.; Saravanakumar, Shanmuganathan; Bielawski, Christopher W. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 24 |
| Pages of publication | 5774 |
| a | 10.6234 ± 0.0003 Å |
| b | 10.8976 ± 0.0004 Å |
| c | 13.5789 ± 0.0005 Å |
| α | 103.348 ± 0.0015° |
| β | 103.838 ± 0.0018° |
| γ | 106.646 ± 0.0017° |
| Cell volume | 1384.63 ± 0.09 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4072441.cif |
| 178613 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/24. |
4072441.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072441.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072441.cif |
| 45147 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4072439, 4072440, 4072441 via cif-deposit CGI script. |
4072441.cif |
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Users of the data should acknowledge the original authors of the
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