Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1506708
Preview
Coordinates | 1506708.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 16 |
---|---|
Chemical name | 8,15,24,31-tetraaza-1,6,17,22-tetrachloro-33,33,34,34-tetramethoxynonacyclo [20.10.1.116,17.02,21.05,18.07,16.09,14.023,32.025,30] tetratricontane-7(16),9,10,12,15,23(32),25,26,28,31-decaene. |
Formula | C34 H32 Cl4 N4 O4 |
Calculated formula | C34 H32 Cl4 N4 O4 |
SMILES | Cl[C@]12c3nc4c(nc3[C@](Cl)(C1(OC)OC)[C@@H]1[C@H]2CC[C@H]2[C@@H](CC1)[C@@]1(Cl)c3nc5c(nc3[C@]2(Cl)C1(OC)OC)cccc5)cccc4 |
Title of publication | Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings. |
Authors of publication | Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 22 |
Pages of publication | 4843 - 4846 |
a | 11.2393 ± 0.0006 Å |
b | 16.951 ± 0.0009 Å |
c | 17.1697 ± 0.0009 Å |
α | 90° |
β | 101.104 ± 0.001° |
γ | 90° |
Cell volume | 3209.9 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0353 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/1506708.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.