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Information card for entry 1550703
Preview
| Coordinates | 1550703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H28 O |
|---|---|
| Calculated formula | C49 H28 O |
| SMILES | C12(c3c(ccc(c3)c3ccc4ccc5cccc6ccc3c4c56)c3c1cccc3)c1c(c3ccccc3cc1)Oc1c2ccc2ccccc12 |
| 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 | 15.5472 ± 0.0013 Å |
| b | 12.2242 ± 0.001 Å |
| c | 17.3652 ± 0.0015 Å |
| α | 90° |
| β | 94.315 ± 0.004° |
| γ | 90° |
| Cell volume | 3290.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.2057 |
| Residual factor for significantly intense reflections | 0.1173 |
| Weighted residual factors for significantly intense reflections | 0.2772 |
| Weighted residual factors for all reflections included in the refinement | 0.317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213967 (current) | 2019-03-05 | cif/ Adding structures of 1550703 via cif-deposit CGI script. |
1550703.cif |
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