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Information card for entry 7056106
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Coordinates | 7056106.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ethyl chalcone |
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Chemical name | (E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-ethylphenyl)prop-2-en-1-one |
Formula | C21 H23 Cl2 N O |
Calculated formula | C21 H23 Cl2 N O |
SMILES | C(CN(CCCl)c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)CC)Cl |
Title of publication | Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents |
Authors of publication | Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
a | 8.4268 ± 0.0003 Å |
b | 9.2446 ± 0.0003 Å |
c | 12.4656 ± 0.0004 Å |
α | 81.2037 ± 0.0013° |
β | 85.3644 ± 0.0016° |
γ | 84.7588 ± 0.0016° |
Cell volume | 953.46 ± 0.06 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0577 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1177 |
Weighted residual factors for all reflections included in the refinement | 0.1277 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7056106.html
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