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Information card for entry 7134974
Preview
| Coordinates | 7134974.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93.62 H101.24 N2 O9.54 |
|---|---|
| Calculated formula | C92 H98 N2 O9 |
| Title of publication | Guest-Triggered Crystallization of π-Conjugated Pillar[5]arene: From Amorphous Aggregate to Ordered Architecture via Solid-State Host-Guest Synergy |
| Authors of publication | Chen, Jin-Fa; Gao, Qing-Xiu; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 43.0399 ± 0.0003 Å |
| b | 24.2273 ± 0.0001 Å |
| c | 61.0404 ± 0.0004 Å |
| α | 90° |
| β | 99.47 ± 0.001° |
| γ | 90° |
| Cell volume | 62781.9 ± 0.7 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302074 (current) | 2025-09-10 | cif/ Adding structures of 7134972, 7134973, 7134974 via cif-deposit CGI script. |
7134974.cif |
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Users of the data should acknowledge the original authors of the
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