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Information card for entry 4034226
Preview
Coordinates | 4034226.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H12 Br4 |
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Calculated formula | C9 H12 Br4 |
SMILES | [C@@H]1([C@H]2[C@H]([C@@H]([C@@H]([C@@H]1CBr)C2)Br)Br)CBr |
Title of publication | Stereo- and Regioselective Synthesis of Molecular Baskets. |
Authors of publication | Gunther, Michael J.; Pavlović, Radoslav Z; Fernandez, Joseph P.; Zhiquan, Lei; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 7 |
Pages of publication | 4392 - 4401 |
a | 8.5651 ± 0.0003 Å |
b | 9.8558 ± 0.0003 Å |
c | 14.1385 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1193.51 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0177 |
Residual factor for significantly intense reflections | 0.0172 |
Weighted residual factors for significantly intense reflections | 0.0418 |
Weighted residual factors for all reflections included in the refinement | 0.042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
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/4034226.html
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