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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1504498.html
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Users of the data should acknowledge the original authors of the
structural data.