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Information card for entry 1506260
Preview
| Coordinates | 1506260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C88 H118 N4 O24 |
|---|---|
| Calculated formula | C88 H118 N4 O24 |
| SMILES | N(C(=O)c1c(cc(c(N(C(=O)c2cc(C(=O)N(c3c(cc(c(C(=O)Nc4c(cc(c(c4)C(=O)OCC)OC)OC)c3)OCC(C)C)OCC(C)C)Cc3c(cc(cc3)OC)OC)c(cc2OCC(C)C)OCC(C)C)Cc2c(cc(cc2)OC)OC)c1)OCC(C)C)OCC(C)C)c1c(cc(c(c1)C(=O)OCC)OC)OC.CO.CO |
| Title of publication | Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides. |
| Authors of publication | Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 22 |
| Pages of publication | 5117 - 5120 |
| a | 19.514 ± 0.002 Å |
| b | 16.3891 ± 0.0019 Å |
| c | 27.727 ± 0.003 Å |
| α | 90° |
| β | 101.243 ± 0.002° |
| γ | 90° |
| Cell volume | 8697.4 ± 1.6 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.2031 |
| Weighted residual factors for all reflections included in the refinement | 0.2085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506260.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506260.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506260.cif |
| 48133 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506260 via cif-deposit CGI script. |
1506260.cif |
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Users of the data should acknowledge the original authors of the
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