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Information card for entry 4071464
Preview
| Coordinates | 4071464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H32 N2 O |
|---|---|
| Calculated formula | C23 H32 N2 O |
| SMILES | O=CN(CCCCNc1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures |
| Authors of publication | Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3279 |
| a | 8.3752 ± 0.0017 Å |
| b | 22.935 ± 0.005 Å |
| c | 21.51 ± 0.004 Å |
| α | 90° |
| β | 96.43 ± 0.03° |
| γ | 90° |
| Cell volume | 4105.8 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (current) | 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 4/07/14. |
4071464.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071464.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071464.cif |
| 43857 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071462, 4071463, 4071464, 4071465, 4071466, 4071467, 4071468, 4071469, 4071470 via cif-deposit CGI script. |
4071464.cif |
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Users of the data should acknowledge the original authors of the
structural data.