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Information card for entry 1504498
Preview
| Coordinates | 1504498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H148 Cl2 N16 O21 |
|---|---|
| Calculated formula | C144 H148 Cl2 N16 O21 |
| SMILES | c1(ccccc1)NC(=O)c1cc(c2ccc3c(cc(C(=O)Nc4ccccc4NC(=O)c4cc(c5ccc6c(cc(C(=O)Nc7cc8ccc(c(c8cc7)c7c(ccc8cc(ccc78)NC(=O)c7cc(c8ccc9c(cc(C(=O)Nc%10ccccc%10NC(=O)c%10cc(c%11ccc%12c(cc(C(=O)Nc%13ccccc%13)nc%12c%11n%10)OCC(C)C)OCC(C)C)nc9c8n7)OCC(C)C)OCC(C)C)OC)OC)nc6c5n4)OCC(C)C)OCC(C)C)nc3c2n1)OCC(C)C)OCC(C)C.CC(C)O.CC(C)O.OC(C)C.ClCCl |
| Title of publication | A helix-turn-helix supersecondary structure based on oligo(phenanthroline dicarboxamide)s. |
| Authors of publication | Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 1 |
| Pages of publication | 69 - 72 |
| a | 18.171 ± 0.003 Å |
| b | 18.429 ± 0.003 Å |
| c | 22.747 ± 0.005 Å |
| α | 85.308 ± 0.01° |
| β | 77.267 ± 0.009° |
| γ | 70.02 ± 0.01° |
| Cell volume | 6983 ± 2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.1393 |
| Residual factor for significantly intense reflections | 0.117 |
| Weighted residual factors for significantly intense reflections | 0.3476 |
| Weighted residual factors for all reflections included in the refinement | 0.3774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.462 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504498.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504498.cif |
| 42115 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504498 via cif-deposit CGI script. |
1504498.cif |
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Users of the data should acknowledge the original authors of the
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