Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551340
Preview
| Coordinates | 1551340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C140 H168 N16 O39 P8 |
|---|---|
| Calculated formula | C140 H168 N16 O39 P8 |
| SMILES | O(C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(C(=O)NCc3c4nc(cc(OCP(=O)(OCC)OCC)c4ccc3)C(=O)Nc3c4nc(C(=O)NCc5cccc6c5nc(cc6OCP(=O)(OCC)OCC)C(=O)Nc5c6nc(C(=O)NCc7c8nc(C(=O)Nc9c%10nc(ccc%10c(cc9)CCP(=O)(OCC)OCC)C(=O)OCc9ccccc9)cc(OCP(=O)(OCC)OCC)c8ccc7)ccc6c(cc5)CCP(=O)(OCC)OCC)ccc4c(cc3)CCP(=O)(OCC)OCC)ccc2c(CCP(=O)(OCC)OCC)cc1)C(C)(C)C |
| 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 | 17.006 ± 0.003 Å |
| b | 20.157 ± 0.004 Å |
| c | 24.463 ± 0.005 Å |
| α | 75.85 ± 0.03° |
| β | 69.66 ± 0.03° |
| γ | 85.93 ± 0.03° |
| Cell volume | 7623 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1456 |
| Residual factor for significantly intense reflections | 0.1245 |
| Weighted residual factors for significantly intense reflections | 0.3044 |
| Weighted residual factors for all reflections included in the refinement | 0.3189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551340.cif |
| 215837 | 2019-06-11 | cif/ Adding structures of 1551340 via cif-deposit CGI script. |
1551340.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.