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Information card for entry 4072364
Preview
Coordinates | 4072364.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H21 N3 O2 Si |
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Calculated formula | C24 H21 N3 O2 Si |
SMILES | [Si]12(Oc3c(N2C(=O)n2[n]1c(C)cc2C)cccc3)(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 | 15.0974 ± 0.0003 Å |
b | 11.6399 ± 0.0003 Å |
c | 23.4817 ± 0.0005 Å |
α | 90° |
β | 103.043 ± 0.001° |
γ | 90° |
Cell volume | 4020.03 ± 0.16 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 | 0.0565 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4072364.html
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