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Information card for entry 1550879
Preview
Coordinates | 1550879.cif |
---|---|
Structure factors | 1550879.hkl |
Original IUCr paper | HTML |
Chemical name | 2-[(<i>tert</i>-Butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one |
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Formula | C30 H30 O2 Si |
Calculated formula | C30 H30 O2 Si |
SMILES | [Si](OC(C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)(C)C |
Title of publication | The crystal structure of 2-[(<i>tert</i>-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one |
Authors of publication | Di Grandi, Martin J.; Taylor, Brett; Corfield, Peter W. R. |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 4 |
Pages of publication | x190478 |
a | 10.3403 ± 0.0003 Å |
b | 10.3926 ± 0.0003 Å |
c | 14.1442 ± 0.0003 Å |
α | 78.9928 ± 0.0014° |
β | 83.6739 ± 0.0015° |
γ | 60.2736 ± 0.0011° |
Cell volume | 1295.45 ± 0.06 Å3 |
Cell temperature | 300 ± 1 K |
Ambient diffraction temperature | 300 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1174 |
Weighted residual factors for all reflections included in the refinement | 0.123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
214630 (current) | 2019-04-13 | cif/ hkl/ Adding structures of 1550879 via cif-deposit CGI script. |
1550879.cif 1550879.hkl |
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Users of the data should acknowledge the original authors of the
structural data.