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Information card for entry 4072354
Preview
Coordinates | 4072354.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H18 N2 O4 Si |
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Calculated formula | C26 H18 N2 O4 Si |
SMILES | [Si](N1C(=O)Oc2c1cccc2)(N1C(=O)Oc2c1cccc2)(c1ccccc1)c1ccccc1 |
Title of publication | Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands |
Authors of publication | Wagler, Jörg; Hill, Anthony F. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 24 |
Pages of publication | 6579 |
a | 9.6245 ± 0.0001 Å |
b | 14.0115 ± 0.0002 Å |
c | 16.1647 ± 0.0002 Å |
α | 90° |
β | 100.99 ± 0.001° |
γ | 90° |
Cell volume | 2139.89 ± 0.05 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0646 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4072354.html
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Users of the data should acknowledge the original authors of the
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