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Information card for entry 1550704
Preview
| Coordinates | 1550704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H24 O |
|---|---|
| Calculated formula | C41 H24 O |
| SMILES | c12ccccc1C1(c3ccccc3O2)c2ccccc2c2ccc(cc12)c1ccc2ccc3cccc4ccc1c2c34 |
| 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 | 8.821 ± 0.01 Å |
| b | 9.062 ± 0.01 Å |
| c | 20.85 ± 0.02 Å |
| α | 86.212 ± 0.016° |
| β | 79.334 ± 0.015° |
| γ | 64.024 ± 0.015° |
| Cell volume | 1472 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 | 0.1196 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213968 (current) | 2019-03-05 | cif/ Adding structures of 1550704 via cif-deposit CGI script. |
1550704.cif |
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Users of the data should acknowledge the original authors of the
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