Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572403
Preview
| Coordinates | 1572403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H26 O5.5 |
|---|---|
| Calculated formula | C32 H20 O4 |
| SMILES | Oc1c2c3c(c(O)ccc3cc1)C1c3c4c(c(O)ccc4ccc3O)C2c2cc3ccccc3cc12 |
| Title of publication | Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry. |
| Authors of publication | Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 36 |
| Pages of publication | 14968 - 14976 |
| a | 10.4986 ± 0.0005 Å |
| b | 11.6083 ± 0.0006 Å |
| c | 12.2425 ± 0.0006 Å |
| α | 97.683 ± 0.004° |
| β | 106.716 ± 0.004° |
| γ | 100.894 ± 0.004° |
| Cell volume | 1374.87 ± 0.13 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295182 (current) | 2024-10-06 | cif/ Updating files of 1572402, 1572403, 1572404, 1572405, 1572406, 1572407 Original log message: Adding full bibliography for 1572402--1572407.cif. |
1572403.cif |
| 294244 | 2024-08-29 | cif/ Adding structures of 1572402, 1572403, 1572404, 1572405, 1572406, 1572407 via cif-deposit CGI script. |
1572403.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.