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Information card for entry 4026543
Preview
Coordinates | 4026543.cif |
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Original paper (by DOI) | HTML |
Chemical name | (Z)-2-isopropoxy-4-((1-(2-isopropoxy-4-nitrophenyl)-5-methyl-1-oxohex-2-en-3-yl) amino)benzamide |
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Formula | C28 H36 N4 O6 |
Calculated formula | C28 H36 N4 O6 |
SMILES | N(=O)(=O)c1ccc(c(OC(C)C)c1)C(=O)C=C(Nc1ccc(c(OC(C)C)c1)C(=O)N)CC(C)C.N#CC |
Title of publication | Oligophenylenaminones as Scaffolds for α-Helix Mimicry |
Authors of publication | Marc J. Adler; Andrew D. Hamilton |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 7040 - 7047 |
a | 30.7167 ± 0.0004 Å |
b | 11.4762 ± 0.0002 Å |
c | 19.3445 ± 0.0003 Å |
α | 90° |
β | 125.362 ± 0.0008° |
γ | 90° |
Cell volume | 5561.1 ± 0.16 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
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 | 0.0796 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for all reflections | 0.071 |
Weighted residual factors for significantly intense reflections | 0.0557 |
Weighted residual factors for all reflections included in the refinement | 0.053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0844 |
Diffraction radiation wavelength | 0.71073 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/4026543.html
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