Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555397
Preview
Coordinates | 1555397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H73.33 N13 O12 |
---|---|
Calculated formula | C62 H73.38 N13 O12 |
Title of publication | One-Pot Synthesis of Strained Macrocyclic Pyridone Hexamers and Their High Selectivity toward Cu(2+) Recognition. |
Authors of publication | Ren, Changliang; Shen, Jie; Zeng, Huaqiang |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 24 |
Pages of publication | 5946 - 5949 |
a | 20.9278 ± 0.0013 Å |
b | 20.9278 ± 0.0013 Å |
c | 11.7428 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4454 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0989 |
Residual factor for significantly intense reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.2494 |
Weighted residual factors for all reflections included in the refinement | 0.2672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
238607 (current) | 2019-11-24 | cif/ Adding structures of 1555397 via cif-deposit CGI script. |
1555397.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.