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Information card for entry 1551338
Preview
| Coordinates | 1551338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C259 H311 Cl3 N32 O83 P16 Si |
|---|---|
| Calculated formula | C195 H151 Cl3 N32 O83 P16 Si |
| SMILES | CC(C)(C)OC(=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(C(=O)NCc3c4nc(cc(OCP(=O)(O)[O-])c4ccc3)C(=O)Nc3c4nc(cc(OCP(=O)(O)[O-])c4ccc3)C(=O)NCc3c4nc(cc(c4ccc3)OCP(=O)(O)[O-])C(=O)Nc3c4nc(cc(c4ccc3)OCP(=O)(O)[O-])C(=O)NCc3c4nc(cc(c4ccc3)OCP(=O)(O)[O-])C(=O)Nc3c4nc(cc(OCP(=O)(O)[O-])c4ccc3)C(=O)NCc3c4nc(C(=O)Nc5c6nc(cc(OCP(=O)(O)[O-])c6ccc5)C(=O)NCc5c6nc(cc(c6ccc5)OCP(=O)(O)[O-])C(=O)Nc5c6nc(cc(OCP(=O)(O)[O-])c6ccc5)C(=O)NCc5c6nc(cc(c6ccc5)OCP(=O)(O)[O-])C(=O)Nc5c6nc(cc(OCP(=O)(O)[O-])c6ccc5)C(=O)OCC[Si](C)(C)C)cc(c4ccc3)OCP(=O)(O)[O-])cc(c2ccc1)OCP(=O)(O)[O-].C(Cl)(Cl)Cl |
| 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 | 42.984 ± 0.002 Å |
| b | 52.9718 ± 0.0014 Å |
| c | 33.962 ± 0.002 Å |
| α | 90° |
| β | 126.304 ± 0.002° |
| γ | 90° |
| Cell volume | 62319 ± 5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.3397 |
| Residual factor for significantly intense reflections | 0.1574 |
| Weighted residual factors for significantly intense reflections | 0.3276 |
| Weighted residual factors for all reflections included in the refinement | 0.3615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215835 (current) | 2019-06-11 | cif/ Adding structures of 1551338 via cif-deposit CGI script. |
1551338.cif |
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