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Information card for entry 4340162
Preview
Coordinates | 4340162.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H43 N3 O4 Se |
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Calculated formula | C18 H43 N3 O4 Se |
SMILES | [Se](=O)(=O)([O-])[O-].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC |
Title of publication | Analogue reaction systems of selenate reductase. |
Authors of publication | Wang, Jun-Jieh; Tessier, Christian; Holm, R. H. |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 7 |
Pages of publication | 2979 - 2988 |
a | 13.182 ± 0.007 Å |
b | 14.176 ± 0.007 Å |
c | 13.37 ± 0.007 Å |
α | 90° |
β | 114.35 ± 0.02° |
γ | 90° |
Cell volume | 2276 ± 2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4340162.cif |
118654 | 2014-06-30 | cif/ Adding structures of 4340156, 4340157, 4340158, 4340159, 4340160, 4340161, 4340162, 4340163 via cif-deposit CGI script. |
4340162.cif |
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Users of the data should acknowledge the original authors of the
structural data.