Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507697
Preview
Coordinates | 1507697.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H72 N2 O8 Te2 |
---|---|
Calculated formula | C76 H72 N2 O8 Te2 |
SMILES | [Te]([Te]c1ncccc1)c1ncccc1.O1C2(O[C@H]([C@@H]1C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1)CCCC2.O1C2(O[C@H]([C@@H]1C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1)CCCC2 |
Title of publication | Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts. |
Authors of publication | Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 10 |
Pages of publication | 2568 - 2571 |
a | 9.4185 ± 0.0002 Å |
b | 9.4185 ± 0.0002 Å |
c | 62.497 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4801.2 ± 0.2 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 151 |
Hermann-Mauguin space group symbol | P 31 1 2 |
Hall space group symbol | P 31 2 (0 0 4) |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
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/1507697.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.