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Information card for entry 2224312
Preview
Coordinates | 2224312.cif |
---|---|
Structure factors | 2224312.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl- 1<i>H</i>-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide |
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Formula | C28 H29 F N4 O2 S |
Calculated formula | C28 H29 F N4 O2 S |
SMILES | c1c(ccnc1NC(=O)C(C)Cc1ccccc1)c1n(c(nc1c1ccc(cc1)F)SC)CCOC |
Title of publication | <i>N</i>-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl-1<i>H</i>-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide |
Authors of publication | Ziegler, Katharina; Schollmeyer, Dieter; Laufer, Stefan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 12 |
Pages of publication | o3128 |
a | 10.6254 ± 0.0005 Å |
b | 28.542 ± 0.001 Å |
c | 9.838 ± 0.0004 Å |
α | 90° |
β | 117.953 ± 0.001° |
γ | 90° |
Cell volume | 2635.49 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0296 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2224312.html
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