Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550705
Preview
| Coordinates | 1550705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H24 |
|---|---|
| Calculated formula | C41 H24 |
| SMILES | c1ccc2ccc3ccc(c4c3c2c1cc4)c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2ccccc12 |
| Title of publication | Supramolecular Steric Hindrance Effect on Morphologies and Photophysical Behaviors of Spirocyclic Aromatic Hydrocarbon Nanocrystals |
| Authors of publication | Li, Yin-Xiang; Zhang, He; Yu, Mengna; Wang, Sha-Sha; Liu, Yi-Ran; Lin, Dongqing; Xie, Linghai; Lin, Zong-Qiong; Huang, Wei |
| Journal of publication | Nanoscale |
| Year of publication | 2019 |
| a | 14.999 ± 0.005 Å |
| b | 11.913 ± 0.004 Å |
| c | 16.835 ± 0.005 Å |
| α | 90° |
| β | 110.752 ± 0.005° |
| γ | 90° |
| Cell volume | 2813 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1821 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213969 (current) | 2019-03-05 | cif/ Adding structures of 1550705 via cif-deposit CGI script. |
1550705.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.