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Information card for entry 4065519
Preview
| Coordinates | 4065519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C35 H51 N3 |
|---|---|
| Calculated formula | C35 H51 N3 |
| SMILES | c1(cccc(C(C)(C)Nc2c(cccc2C(C)C)C(C)C)n1)C(C)(C)Nc1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3 |
| Authors of publication | Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 21 |
| Pages of publication | 6028 |
| a | 15.873 ± 0.003 Å |
| b | 32.135 ± 0.006 Å |
| c | 12.193 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6219.4 ± 1.9 Å3 |
| Cell temperature | 115.1 K |
| Ambient diffraction temperature | 110.15 K |
| Number of distinct elements | 3 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.172 |
| Residual factor for significantly intense reflections | 0.1219 |
| Weighted residual factors for significantly intense reflections | 0.2356 |
| Weighted residual factors for all reflections included in the refinement | 0.2615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4065519.cif |
| 201982 | 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. |
4065519.cif |
| 178548 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/55. |
4065519.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065519.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065519.cif |
| 33319 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065517, 4065518, 4065519, 4065520, 4065521 via cif-deposit CGI script. |
4065519.cif |
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Users of the data should acknowledge the original authors of the
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