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Information card for entry 7247501
Preview
| Coordinates | 7247501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 O2 Si2 |
|---|---|
| Calculated formula | C48 H36 O2 Si2 |
| SMILES | [SiH2]1c2c3ccccc3c([SiH2]c3c(COc4c(c5c(cc4)cccc5)c4c(OCc5c1cccc5)ccc1c4cccc1)cccc3)c1c2cccc1 |
| Title of publication | Probing local structure of glass with orientation-dependent luminescence. |
| Authors of publication | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 41 |
| Pages of publication | 28113 - 28118 |
| a | 11.5209 ± 0.0005 Å |
| b | 11.6461 ± 0.0005 Å |
| c | 28.3488 ± 0.0012 Å |
| α | 90.306 ± 0.002° |
| β | 91.906 ± 0.002° |
| γ | 101.613 ± 0.002° |
| Cell volume | 3723.5 ± 0.3 Å3 |
| Cell temperature | 223.15 K |
| Ambient diffraction temperature | 223.15 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1655 |
| Weighted residual factors for all reflections included in the refinement | 0.1751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0498 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287420 (current) | 2023-11-06 | cif/ Updating files of 7247498, 7247499, 7247500, 7247501 Original log message: Adding full bibliography for 7247498--7247501.cif. |
7247501.cif |
| 286953 | 2023-10-13 | cif/ Adding structures of 7247498, 7247499, 7247500, 7247501 via cif-deposit CGI script. |
7247501.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.