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Information card for entry 1519823
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Coordinates | 1519823.cif |
---|
Formula | C19 H28 Cl N O2 S |
---|---|
Calculated formula | C19 H28 Cl N O2 S |
SMILES | C[C@@H]([C@@H]1[C@@H](C2CCCCC2)N(CC1)S(=O)(=O)c1ccc(cc1)C)Cl.C[C@H]([C@H]1[C@H](C2CCCCC2)N(CC1)S(=O)(=O)c1ccc(cc1)C)Cl |
Title of publication | C19H28ClNO2S |
Authors of publication | Fry, F. H.; Male, Louise; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2007 |
Pages of publication | 332 |
a | 15.4076 ± 0.0003 Å |
b | 12.9924 ± 0.0004 Å |
c | 9.38 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1877.7 ± 0.09 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0743 |
Residual factor for significantly intense reflections | 0.0699 |
Weighted residual factors for significantly intense reflections | 0.1726 |
Weighted residual factors for all reflections included in the refinement | 0.1761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519823.html
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Users of the data should acknowledge the original authors of the
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