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Information card for entry 1573080
Preview
| Coordinates | 1573080.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,4-Bis(neopentyloxy)pillar[5]arene |
|---|---|
| Formula | C95 H140 N2 O10 |
| Calculated formula | C95 H140 N2 O10 |
| Title of publication | Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system |
| Authors of publication | Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F. |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 11 |
| a | 47.848 ± 0.005 Å |
| b | 14.2452 ± 0.0014 Å |
| c | 27.679 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18866 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.1504 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1548 |
| Weighted residual factors for all reflections included in the refinement | 0.1921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295860 (current) | 2024-11-09 | cif/ Adding structures of 1573080 via cif-deposit CGI script. |
1573080.cif |
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