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Information card for entry 1554772
Preview
| Coordinates | 1554772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C143 H57.4 N2 O11.7 S2 |
|---|---|
| Calculated formula | C143 H57.404 N2 O11.702 S2 |
| Title of publication | Synthesis of an open-cage fullerene-based unidirectional H-bonding network and its coordination with titanium |
| Authors of publication | Zhang, Hao; Su, Jie; Pan, Changwang; Lu, Xing; Gan, Liangbing |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | 1397 |
| a | 10.4595 ± 0.0004 Å |
| b | 25.0584 ± 0.001 Å |
| c | 16.2556 ± 0.0007 Å |
| α | 90° |
| β | 91.316 ± 0.004° |
| γ | 90° |
| Cell volume | 4259.4 ± 0.3 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0924 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1553 |
| Weighted residual factors for all reflections included in the refinement | 0.1679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 238110 (current) | 2019-11-24 | cif/ Adding structures of 1554768, 1554769, 1554770, 1554771, 1554772 via cif-deposit CGI script. |
1554772.cif |
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Users of the data should acknowledge the original authors of the
structural data.