Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242563
Preview
Coordinates | 7242563.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TBOP |
---|---|
Chemical name | 2,8-bis((E)-2-(pyridin-2-yl)vinyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine |
Formula | C29 H24 N4 |
Calculated formula | C29 H24 N4 |
Title of publication | Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method |
Authors of publication | Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 17 |
Pages of publication | 3152 - 3159 |
a | 15.6255 ± 0.001 Å |
b | 6.0517 ± 0.0004 Å |
c | 47.672 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4507.9 ± 0.6 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0754 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.173 |
Weighted residual factors for all reflections included in the refinement | 0.192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7242563.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.