Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551337
Preview
| Coordinates | 1551337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C260 H304 N32 O83 P16 |
|---|---|
| Calculated formula | C243.5 H249 N32 O83 P16 |
| SMILES | C(=O)(OC(C)(C)C)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(cc(c2ccc1)OCP(=O)(OCC)OCC)C(=O)NCc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)Nc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)NCc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)Nc1c2nc(cc(c2ccc1)OCP(=O)(OCC)OCC)C(=O)NCc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)Nc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(C(=O)NCc3c4nc(cc(OCP(=O)(OCC)OCC)c4ccc3)C(=O)Nc3c4nc(cc(c4ccc3)OCP(=O)(O)OC)C(=O)OCc3ccccc3)cc(OCP(=O)(OCC)OCC)c2ccc1 |
| Title of publication | Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA |
| Authors of publication | Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 511 - 518 |
| a | 22.058 ± 0.008 Å |
| b | 36.936 ± 0.013 Å |
| c | 39.49 ± 0.012 Å |
| α | 91.137 ± 0.015° |
| β | 101.582 ± 0.003° |
| γ | 105.808 ± 0.008° |
| Cell volume | 30232 ± 18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2182 |
| Residual factor for significantly intense reflections | 0.1765 |
| Weighted residual factors for significantly intense reflections | 0.4459 |
| Weighted residual factors for all reflections included in the refinement | 0.4834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.452 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215834 (current) | 2019-06-11 | cif/ Adding structures of 1551337 via cif-deposit CGI script. |
1551337.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.