Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7222409
Preview
Coordinates | 7222409.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | N',N''-Didodecylbisindolylmaleimide |
---|---|
Chemical name | 3,4-bis(1-dodecyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione |
Formula | C44 H61 N3 O2 |
Calculated formula | C44 H61 N3 O2 |
Title of publication | The Bisindolylmaleimides With Anti-Parallel Conformation by N-Dodecyl Chains on Indole Rings:Thermal Property and Intensive Solid-State Fluorescence in Single Crystal |
Authors of publication | Li, Ting-Ting; Gao, Yong-Chen; Zhou, Jin-Xiu; Huang, Mu-Hua; Luo, Yunjun |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 11.2782 ± 0.0009 Å |
b | 11.283 ± 0.0009 Å |
c | 15.7258 ± 0.0013 Å |
α | 88.215 ± 0.007° |
β | 79.997 ± 0.007° |
γ | 83.701 ± 0.007° |
Cell volume | 1958.7 ± 0.3 Å3 |
Cell temperature | 102.3 K |
Ambient diffraction temperature | 102.3 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0824 |
Residual factor for significantly intense reflections | 0.0589 |
Weighted residual factors for significantly intense reflections | 0.1264 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.7107 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/7222409.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.