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Information card for entry 2222277
Preview
Coordinates | 2222277.cif |
---|---|
Structure factors | 2222277.hkl |
Original IUCr paper | HTML |
Chemical name | Ethyl 1-(2-bromopropanoyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3- carboxylate |
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Formula | C23 H24 Br N O4 |
Calculated formula | C23 H24 Br N O4 |
SMILES | CCOC(=O)C1=C(O)C[C@@H](N([C@@H]1c1ccccc1)C(=O)[C@@H](Br)C)c1ccccc1.CCOC(=O)C1=C(O)C[C@H](N([C@H]1c1ccccc1)C(=O)[C@H](Br)C)c1ccccc1 |
Title of publication | Ethyl 1-(2-bromopropanoyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
Authors of publication | Aridoss, G.; Gayathri, D.; Velmurugan, D.; Kim, M. S.; Jeong, Yeon Tae |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | o1708 - o1709 |
a | 10.397 ± 0.0004 Å |
b | 14.4874 ± 0.0006 Å |
c | 15.858 ± 0.0007 Å |
α | 65.457 ± 0.002° |
β | 89.556 ± 0.003° |
γ | 80.597 ± 0.003° |
Cell volume | 2138.8 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0781 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1376 |
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 | Yes |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2222277.html
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