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Information card for entry 7154627
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7154627.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H10 Br2 O3 |
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Calculated formula | C14 H10 Br2 O3 |
SMILES | Brc1c(c(c2ccccc2)c(O)cc1Br)C(=O)OC |
Title of publication | Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols. |
Authors of publication | Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 37 |
Pages of publication | 9686 - 9696 |
a | 7.871 ± 0.005 Å |
b | 11.094 ± 0.005 Å |
c | 15.506 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1354 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n 21 a |
Hall space group symbol | P -2ac -2n |
Residual factor for all reflections | 0.0828 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71069 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/7154627.html
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Users of the data should acknowledge the original authors of the
structural data.