Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128816
Preview
Coordinates | 4128816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H24 O6 |
---|---|
Calculated formula | C48 H24 O6 |
SMILES | Oc1cc2c(cc1O)c1c3ccccc3c3c4cc(O)c(O)cc4c4c5ccccc5c5c6cc(O)c(O)cc6c6c7ccccc7c2c2c1c3c4c5c62 |
Title of publication | A Wavy Two-Dimensional Covalent Organic Framework from Core-Twisted Polycyclic Aromatic Hydrocarbons. |
Authors of publication | Martínez-Abadía, Marta; Stoppiello, Craig T.; Strutynski, Karol; Lerma-Berlanga, Belén; Martí-Gastaldo, Carlos; Saeki, Akinori; Melle-Franco, Manuel; Khlobystov, Andrei N.; Mateo-Alonso, Aurelio |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 36 |
Pages of publication | 14403 - 14410 |
a | 13.0079 ± 0.0006 Å |
b | 14.5518 ± 0.0005 Å |
c | 18.7581 ± 0.0007 Å |
α | 67.779 ± 0.004° |
β | 76.113 ± 0.004° |
γ | 79.561 ± 0.003° |
Cell volume | 3174.7 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.01 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0989 |
Residual factor for significantly intense reflections | 0.0784 |
Weighted residual factors for significantly intense reflections | 0.2489 |
Weighted residual factors for all reflections included in the refinement | 0.2681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4128816.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.