Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7132577
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7132577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H46 N6 O5 |
---|---|
Calculated formula | C48 H42 N6 O5 |
SMILES | n1c2cccc1c1oc3c(cc(c4nc(ccc4)c4oc5c(cc(c6cccc(n6)c6oc7c(cc2cc7C(C)(C)C)n6)cc5n4)C(C)(C)C)cc3n1)C(C)(C)C.O.O |
Title of publication | Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion. |
Authors of publication | Hokimoto, Yuya; Nakamura, Takashi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 10 |
Pages of publication | 1281 - 1284 |
a | 16.082 ± 0.004 Å |
b | 17.555 ± 0.005 Å |
c | 17.564 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4959 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1963 |
Residual factor for significantly intense reflections | 0.1644 |
Weighted residual factors for significantly intense reflections | 0.365 |
Weighted residual factors for all reflections included in the refinement | 0.3766 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.44 |
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/7132577.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.