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Information card for entry 7153657
Preview
Coordinates | 7153657.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 Br2 |
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Calculated formula | C14 H18 Br2 |
SMILES | Br[C@@H]1[C@H]2[C@H]3CC[C@H]4[C@@H]1[C@H]1CC[C@@H]2[C@H]1[C@H]4[C@@H]3Br.Br[C@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@H]1[C@@H]1CC[C@H]2[C@@H]1[C@@H]4[C@H]3Br |
Title of publication | A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane. |
Authors of publication | Olbrich, Martin; Mayer, Peter; Trauner, Dirk |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 108 - 112 |
a | 14.3718 ± 0.0004 Å |
b | 6.4978 ± 0.0002 Å |
c | 12.7356 ± 0.0004 Å |
α | 90° |
β | 94.731 ± 0.002° |
γ | 90° |
Cell volume | 1185.26 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0491 |
Weighted residual factors for all reflections included in the refinement | 0.052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7153657.html
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