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Information card for entry 7225086
Preview
| Coordinates | 7225086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H61 Cl3 O4 S4 |
|---|---|
| Calculated formula | C63 H61 Cl3 O4 S4 |
| Title of publication | “Clickable” thiacalix[4]arene derivatives bearing polymerizable 1,3-butadiyne fragments: synthesis and incorporation into polydiacetylene vesicles. |
| Authors of publication | Burilov, Vladimir; Valiyakhmetova, Alsu; Mironova, Diana; Safiullin, Roman; Kadirov, Marsil; Ivshin, Kamil; Kataeva, Olga; Solovieva, Svetlana; Antipin, Igor S. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.3272 ± 0.0011 Å |
| b | 12.9232 ± 0.0011 Å |
| c | 19.308 ± 0.0016 Å |
| α | 86.148 ± 0.003° |
| β | 81.088 ± 0.003° |
| γ | 80.14 ± 0.003° |
| Cell volume | 2991.3 ± 0.4 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1053 |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for significantly intense reflections | 0.2278 |
| Weighted residual factors for all reflections included in the refinement | 0.2655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182480 (current) | 2016-05-04 | cif/ Adding structures of 7225086 via cif-deposit CGI script. |
7225086.cif |
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Users of the data should acknowledge the original authors of the
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