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Information card for entry 4027889
Preview
Coordinates | 4027889.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H19 Br O3 |
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Calculated formula | C21 H19 Br O3 |
SMILES | Brc1c2c(oc1c1cc(OC)c(OC)cc1)c1c(CCC2)cccc1 |
Title of publication | Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement |
Authors of publication | Elumalai Gopi; Irishi N. N. Namboothiri |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 910 - 919 |
a | 7.9204 ± 0.0003 Å |
b | 8.6133 ± 0.0003 Å |
c | 25.5389 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1742.28 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0581 |
Weighted residual factors for all reflections included in the refinement | 0.0603 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/4027889.html
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