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Information card for entry 4026398
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Coordinates | 4026398.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4,5-Dibromo-1H-pyrrole-2-carboxylic acid {2-[2-phenylsulfanyl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazol-4-yl] -cyclopentylmethyl}-amide |
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Formula | C26 H34 Br2 N4 O2 S Si |
Calculated formula | C26 H34 Br2 N4 O2 S Si |
SMILES | Brc1cc(C(=O)NC[C@H]2[C@H](c3cnc(n3COCC[Si](C)(C)C)Sc3ccccc3)CCC2)[nH]c1Br |
Title of publication | Extending Pummerer Reaction Chemistry: Studies in the Palau'amine Synthesis Area |
Authors of publication | Ken S. Feldman; Ahmed Yimam Nuriye; Jianfeng Li |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 5042 - 5060 |
a | 8.838 ± 0.002 Å |
b | 12.387 ± 0.003 Å |
c | 13.856 ± 0.004 Å |
α | 93.905 ± 0.004° |
β | 98.513 ± 0.004° |
γ | 103.071 ± 0.004° |
Cell volume | 1453.2 ± 0.6 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0442 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4026398.html
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Users of the data should acknowledge the original authors of the
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