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Information card for entry 1520280
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Coordinates | 1520280.cif |
---|
Formula | C22 H25 Cl N2 O5 |
---|---|
Calculated formula | C22 H25 Cl N2 O5 |
SMILES | Cl(=O)(=O)(=O)[O-].O=C1N(C(/[N+](=C/C=C/c2ccccc2)[C@H]1Cc1ccccc1)(C)C)C |
Title of publication | C22H25ClN2O5 |
Authors of publication | Hursthouse, Michael B.; Coles, Simon J.; Tomkinson, N. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 423 |
a | 9.7683 ± 0.0002 Å |
b | 13.0654 ± 0.0002 Å |
c | 16.8119 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2145.65 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520280.html
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Users of the data should acknowledge the original authors of the
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