Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566331
Preview
Coordinates | 1566331.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H29 N O6 |
---|---|
Calculated formula | C24 H29 N O6 |
SMILES | O(C(=O)c1c(C(=O)OC)c(nc2ccccc12)C(=O)OC)[C@@H]1C[C@H](C)CC[C@H]1C(C)C |
Title of publication | Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules |
Authors of publication | You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 2310 - 2316 |
a | 8.4222 ± 0.0001 Å |
b | 8.6086 ± 0.0001 Å |
c | 15.573 ± 0.0002 Å |
α | 90° |
β | 93.674 ± 0.001° |
γ | 90° |
Cell volume | 1126.77 ± 0.02 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0284 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0717 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1566331.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.