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Information card for entry 1508070
Preview
| Coordinates | 1508070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C96 H55 N3 O14 S2 |
|---|---|
| Calculated formula | C96 H55 N3 O14 S2 |
| SMILES | O=S1(=O)c2ccc(c3ccc(cc3)S(=O)(=O)c3ccc(cc3)Oc3cccc(c3)N3C(=O)c4c5c6c(C(=O)N(c7cc(ccc7)Oc7ccc1cc7)C(=O)c6cc4)ccc5C3=O)cc2.c12c(ccc3c1c1c(cc2)cccc1cc3)OC(=O)c1c(cccc1)Nc1c(C(=O)Oc2c3c4c(ccc5c4c(cc3)ccc5)cc2)cccc1 |
| Title of publication | Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information. |
| Authors of publication | Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M. |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | 653 - 660 |
| a | 28.5423 ± 0.0002 Å |
| b | 22.2297 ± 0.0001 Å |
| c | 28.8082 ± 0.0002 Å |
| α | 90° |
| β | 112.759 ± 0.001° |
| γ | 90° |
| Cell volume | 16855.3 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0935 |
| Weighted residual factors for significantly intense reflections | 0.2996 |
| Weighted residual factors for all reflections included in the refinement | 0.3175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.265 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1508070.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508070.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508070.cif |
| 62616 | 2012-07-09 | cif/ Adding structures of 1508070 via cif-deposit CGI script. |
1508070.cif |
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Users of the data should acknowledge the original authors of the
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