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Information card for entry 2311248
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Coordinates | 2311248.cif |
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Original IUCr paper | HTML |
Common name | chalcone |
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Chemical name | (<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one |
Formula | C22 H18 O |
Calculated formula | C22 H18 O |
SMILES | O=C(/C=C/c1c(C)cccc1)c1ccc(cc1)c1ccccc1 |
Title of publication | (E)-1-([1,1'-Biphen-yl]-4-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one. |
Authors of publication | Shanthi, D.; Vidhya Sagar, T.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A. |
Journal of publication | Acta crystallographica. Section E, Structure reports online |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | Pt 7 |
Pages of publication | o809 - 10 |
a | 7.6396 ± 0.0003 Å |
b | 9.9106 ± 0.0004 Å |
c | 11.9263 ± 0.0004 Å |
α | 103.166 ± 0.002° |
β | 104.713 ± 0.002° |
γ | 103.308 ± 0.002° |
Cell volume | 809.66 ± 0.06 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1346 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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245721 (current) | 2019-12-25 | cif/ Adding structures of 2311248 via cif-deposit CGI script. |
2311248.cif |
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