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Information card for entry 4028211
Preview
Coordinates | 4028211.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H25 B F2 O6 |
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Calculated formula | C29 H25 B F2 O6 |
SMILES | C1(\C=C\c2ccc(cc2)OC)=C(C(/C=C/c2ccc(cc2)OC)=[O][B](O1)(F)F)c1ccc(cc1)C(=O)OC |
Title of publication | Synthesis and Photophysical Properties of Difluoroboron Complexes of Curcuminoid Derivatives Bearing Different Terminal Aromatic Units and a meso-Aryl Ring |
Authors of publication | Abdellah Felouat; Anthony D'Aléo; Fredéric Fages |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4446 - 4455 |
a | 8.448 ± 0.001 Å |
b | 11.579 ± 0.003 Å |
c | 14.093 ± 0.004 Å |
α | 94.74 ± 0.01° |
β | 102.62 ± 0.02° |
γ | 90.301 ± 0.007° |
Cell volume | 1340.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1687 |
Residual factor for significantly intense reflections | 0.0831 |
Weighted residual factors for significantly intense reflections | 0.2305 |
Weighted residual factors for all reflections included in the refinement | 0.309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028211.html
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