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Information card for entry 7202635
Preview
| Coordinates | 7202635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C46 H42 N4 O12 |
|---|---|
| Calculated formula | C46 H42 N4 O12 |
| SMILES | c1(ccc(cc1)N(=O)=O)C(=O)N(Cc1ccc(cc1OC)OC)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccc(cc1)C(=O)O)Cc1ccc(cc1OC)OC.O |
| Title of publication | Rod?coil copolymers from oligo(p-benzamide) foldamers |
| Authors of publication | Seyler, Helga; Berger-Nicoletti, Elena; Kilbinger, Andreas F. M. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2007 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 1954 |
| a | 14.0604 ± 0.0005 Å |
| b | 10.7206 ± 0.0019 Å |
| c | 27.612 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4162.1 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.2332 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.193 |
| Weighted residual factors for all reflections included in the refinement | 0.2513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202635.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202635.cif |
| 180357 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26. |
7202635.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202635.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202635.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202635.cif |
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Users of the data should acknowledge the original authors of the
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