Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038691
Preview
Coordinates | 4038691.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 N3 O2 |
---|---|
Calculated formula | C21 H15 N3 O2 |
Title of publication | Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives |
Authors of publication | Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G. |
Journal of publication | The Journal of Organic Chemistry |
Year of publication | 2020 |
a | 3.8353 ± 0.0001 Å |
b | 23.3888 ± 0.0006 Å |
c | 16.9879 ± 0.0012 Å |
α | 90° |
β | 93.51 ± 0.007° |
γ | 90° |
Cell volume | 1521.01 ± 0.12 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0936 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
Diffraction radiation wavelength | 1.54187 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/4038691.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.