Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508347
Preview
Coordinates | 1508347.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,8-bis((triisopropylsilyl)ethynyl)-6,13-dihydro-5,6,7,12,13,14-hexaazapentacene |
---|---|
Formula | C38 H50 N6 Si2 |
Calculated formula | C38 H50 N6 Si2 |
Title of publication | Highly electron-deficient hexaazapentacenes and their dihydro precursors. |
Authors of publication | He, Zikai; Mao, Renxin; Liu, Danqing; Miao, Qian |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 16 |
Pages of publication | 4190 - 4193 |
a | 12.635 ± 0.005 Å |
b | 12.882 ± 0.005 Å |
c | 14.664 ± 0.006 Å |
α | 100.107 ± 0.009° |
β | 93.769 ± 0.009° |
γ | 107.794 ± 0.01° |
Cell volume | 2219.1 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.2634 |
Residual factor for significantly intense reflections | 0.0817 |
Weighted residual factors for significantly intense reflections | 0.1702 |
Weighted residual factors for all reflections included in the refinement | 0.2238 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.755 |
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/1508347.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.