Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4024110
Preview
Coordinates | 4024110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H33 Cl6 N |
---|---|
Calculated formula | C34 H33 Cl6 N |
SMILES | ClCc1cc2C3(C4(C(C)(c2cc1CCl)c1cc(c(cc1C4(C)c1cc(c(cc31)CCl)CCl)CCl)CCl)C)C.N#CC |
Title of publication | C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes) |
Authors of publication | Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 6382 - 6389 |
a | 12.273 ± 0.003 Å |
b | 21.104 ± 0.005 Å |
c | 12.788 ± 0.003 Å |
α | 90° |
β | 101.141 ± 0.004° |
γ | 90° |
Cell volume | 3249.8 ± 1.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1091 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.1385 |
Weighted residual factors for all reflections included in the refinement | 0.1773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4024110.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.