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Information card for entry 4515303
Preview
| Coordinates | 4515303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H60 O11 |
|---|---|
| Calculated formula | C57 H60 O11 |
| Title of publication | Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior. |
| Authors of publication | Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2018 |
| Journal volume | 10 |
| Journal issue | 27 |
| Pages of publication | 23147 - 23153 |
| a | 40.8447 ± 0.0015 Å |
| b | 11.5057 ± 0.0004 Å |
| c | 22.7109 ± 0.0009 Å |
| α | 90° |
| β | 91.315 ± 0.003° |
| γ | 90° |
| Cell volume | 10670.1 ± 0.7 Å3 |
| Cell temperature | 172.8 K |
| Ambient diffraction temperature | 172.8 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 | 0.1507 |
| Residual factor for significantly intense reflections | 0.1211 |
| Weighted residual factors for significantly intense reflections | 0.3073 |
| Weighted residual factors for all reflections included in the refinement | 0.3265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225470 (current) | 2019-11-10 | cif/ Adding structures of 4515303 via cif-deposit CGI script. |
4515303.cif |
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Users of the data should acknowledge the original authors of the
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