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Information card for entry 4324905
Preview
| Coordinates | 4324905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H81 Cl N3 O3 Y |
|---|---|
| Calculated formula | C54 H81 Cl N3 O3 Y |
| SMILES | [Y]1(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)([O]2CCCC2)[N](c2ccc(Cl)cc2)=C(N1C(C)C)NC(C)C.c1(ccccc1)C |
| Title of publication | Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group |
| Authors of publication | Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 3729 - 3737 |
| a | 9.8439 ± 0.0007 Å |
| b | 11.2519 ± 0.0009 Å |
| c | 24.409 ± 0.002 Å |
| α | 83.406 ± 0.007° |
| β | 80.859 ± 0.005° |
| γ | 76.62 ± 0.006° |
| Cell volume | 2588.2 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0617 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179352 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/49. |
4324905.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324905.cif |
| 43356 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4324905 via cif-deposit CGI script. |
4324905.cif |
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Users of the data should acknowledge the original authors of the
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