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Information card for entry 4510162
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Coordinates | 4510162.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H19 N O4 S |
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Calculated formula | C15 H15 N O4 S |
Title of publication | Insight into the Mechanism of Formation of Channel Hydrates via Templating |
Authors of publication | Stokes, Stephen P.; Seaton, Colin C.; Eccles, Kevin S.; Maguire, Anita R.; Lawrence, Simon E. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 1158 |
a | 12.898 ± 0.0006 Å |
b | 5.6734 ± 0.0003 Å |
c | 22.5802 ± 0.0012 Å |
α | 90° |
β | 104 ± 0.001° |
γ | 90° |
Cell volume | 1603.24 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0848 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179648 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01. |
4510162.cif |
106378 | 2014-03-15 | cif/ Adding structures of 4510162 via cif-deposit CGI script. |
4510162.cif |
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Users of the data should acknowledge the original authors of the
structural data.