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Information card for entry 7150649
Preview
| Coordinates | 7150649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H138 N12 O4 |
|---|---|
| Calculated formula | C106 H138 N12 O4 |
| SMILES | CC1(CCC2(CCC3(CCC4(CCC5(CCC6(C)N(C)c7cccc8cccc(N6C)c78)N(C)c6cccc7cccc(N5C)c67)N(C)c5cccc6cccc(N4C)c56)N(C)c4cccc5cccc(N3C)c45)N(C)c3cccc4cccc(c34)N2C)N(C)c2cccc3c2c(N1C)ccc3.O(CC)CC.O(CC)CC.O(CC)CC.O(CC)CC |
| Title of publication | Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups |
| Authors of publication | Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 13 |
| Pages of publication | 2704 - 2715 |
| a | 8.6359 ± 0.0007 Å |
| b | 40.315 ± 0.008 Å |
| c | 13.478 ± 0.003 Å |
| α | 90° |
| β | 107.581 ± 0.01° |
| γ | 90° |
| Cell volume | 4473.3 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180292 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/06. |
7150649.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150649.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150649.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150649.cif |
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