Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7102959
Preview
Coordinates | 7102959.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H66 Si2 |
---|---|
Calculated formula | C68 H66 Si2 |
SMILES | C(C)(C)[Si](C(C)C)(C(C)C)C#Cc1cccc2[C@@H]3c4cccc5c4[C@H](c12)[C@@H]1c2c(C#Cc4cccc6cc7cccc(C#C5)c7cc46)cccc2[C@H]3c2cccc(c12)C#C[Si](C(C)C)(C(C)C)C(C)C.C(C)(C)[Si](C(C)C)(C(C)C)C#Cc1cccc2[C@H]3c4cccc5c4[C@@H](c12)[C@H]1c2c(C#Cc4cccc6cc7cccc(C#C5)c7cc46)cccc2[C@@H]3c2cccc(c12)C#C[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Molecular folding screen: folding and unfolding of 1,8-anthrylene-ethynylene oligomers by photochemical cycloaddition and thermal cycloreversion. |
Authors of publication | Toyota, Shinji; Kuga, Makoto; Takatsu, Akiko; Goichi, Michio; Iwanaga, Tetsuo |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 11 |
Pages of publication | 1323 - 1325 |
a | 22.625 ± 0.003 Å |
b | 9.6582 ± 0.0011 Å |
c | 24.852 ± 0.004 Å |
α | 90° |
β | 99.565 ± 0.006° |
γ | 90° |
Cell volume | 5355.2 ± 1.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0773 |
Residual factor for significantly intense reflections | 0.0618 |
Weighted residual factors for significantly intense reflections | 0.1612 |
Weighted residual factors for all reflections included in the refinement | 0.171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7102959.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.