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Information card for entry 1514368
Preview
Coordinates | 1514368.cif |
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Original paper (by DOI) | HTML |
Formula | C51 H48 O6 Si2 |
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Calculated formula | C51 H48 O6 Si2 |
SMILES | C(c1c(=O)oc2ccccc2c1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)c1c(=O)oc2ccccc2c1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | O-tert-butyldiphenylsilyl coumarin and dicoumarol: a case toward selective sensing of F- ions in organic and aqueous environments. |
Authors of publication | Ghosh, Kumaresh; Kar, Debasis; Fröhlich, Roland; Chattopadhyay, Asoke P.; Samadder, Asmita; Khuda-Bukhsh, Anisur Rahman |
Journal of publication | The Analyst |
Year of publication | 2013 |
Journal volume | 138 |
Journal issue | 10 |
Pages of publication | 3038 - 3045 |
a | 16.849 ± 0.0006 Å |
b | 17.6362 ± 0.0006 Å |
c | 15.7254 ± 0.0006 Å |
α | 90° |
β | 114.22 ± 0.002° |
γ | 90° |
Cell volume | 4261.5 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0615 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514368.cif |
109992 | 2014-04-18 | cif/ Adding structures of 1514368 via cif-deposit CGI script. |
1514368.cif |
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Users of the data should acknowledge the original authors of the
structural data.