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Information card for entry 4324901
Preview
| Coordinates | 4324901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H63 N2 O4 Y |
|---|---|
| Calculated formula | C44 H63 N2 O4 Y |
| SMILES | [Y]12(Oc3c(cc(cc3C(C)(C)C)C)C(C)(C)C)(Oc3c(cc(cc3C(C)(C)C)C)C(C)(C)C)([O](c3c(N1)cccc3)C)[O](c1c([NH2]2)cccc1)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 | 14.7013 ± 0.0017 Å |
| b | 17.9628 ± 0.0016 Å |
| c | 16.839 ± 0.0018 Å |
| α | 90° |
| β | 110.551 ± 0.003° |
| γ | 90° |
| Cell volume | 4163.8 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| 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. |
4324901.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324901.cif |
| 43352 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4324901 via cif-deposit CGI script. |
4324901.cif |
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Users of the data should acknowledge the original authors of the
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