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Information card for entry 7153652
Preview
Coordinates | 7153652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 Cl4 O |
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Calculated formula | C14 H14 Cl4 O |
SMILES | Cl[C@@]12C(=C(Cl)[C@@](Cl)(CC1)[C@H]1[C@@H]2[C@@H]2CC[C@H]1[C@H]1O[C@@H]21)Cl |
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 | 8.8558 ± 0.0002 Å |
b | 12.1899 ± 0.0003 Å |
c | 12.9536 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1398.36 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0352 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7153652.html
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Users of the data should acknowledge the original authors of the
structural data.