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Information card for entry 1520397
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Coordinates | 1520397.cif |
---|
Formula | C16 H21 Cl N4 O7 Si |
---|---|
Calculated formula | C16 H21 Cl N4 O7 Si |
SMILES | c1c(cc(c2[n]1C[Si]1(C)(C[n]3cc(cc(c3O1)N(=O)=O)C)O2)N(=O)=O)C.[Cl-].CO |
Title of publication | C16H21ClN4O7Si |
Authors of publication | Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 663 |
a | 24.2668 ± 0.0009 Å |
b | 6.9038 ± 0.0002 Å |
c | 23.7477 ± 0.0009 Å |
α | 90° |
β | 93.232 ± 0.002° |
γ | 90° |
Cell volume | 3972.2 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1152 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/1520397.html
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