Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566034
Preview
Coordinates | 1566034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H27 N O5 |
---|---|
Calculated formula | C26 H27 N O5 |
Title of publication | Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea |
Authors of publication | Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 8.3138 ± 0.0004 Å |
b | 11.6736 ± 0.0005 Å |
c | 25.1152 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2437.48 ± 0.18 Å3 |
Cell temperature | 291.9 ± 0.1 K |
Ambient diffraction temperature | 291.9 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.1003 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272110 (current) | 2022-01-19 | cif/ Adding structures of 1566033, 1566034, 1566035 via cif-deposit CGI script. |
1566034.cif |
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.