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Information card for entry 1529288
Preview
| Coordinates | 1529288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C152 H96 O12 P4 |
|---|---|
| Calculated formula | C152 H96 O12 P4 |
| SMILES | P12(=O)c3cc(C(C)(C)C)ccc3Oc3c1c(Oc1c2cc(cc1)C(C)(C)C)c1Oc2c(P4(=O)c1c3Oc1ccc(C(C)(C)C)cc41)cc(C(C)(C)C)cc2.P12(=O)c3cc(C(C)(C)C)ccc3Oc3c2c(Oc2ccc(C(C)(C)C)cc12)c1Oc2c(P4(=O)c5c(Oc3c14)ccc(c5)C(C)(C)C)cc(C(C)(C)C)cc2.c12c3c4c5c6c7c8c(c9c%10c%11c%12c%13c9c1c1c9c3c3c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c7c7c6c6c4c3c3c%15c%17c4c(c7c%22c%194)c63)c(c8%10)c%21c%11c3c%20c%18c4c(c%123)c(c(c%164)c9%14)c%131)c25 |
| Title of publication | Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities |
| Authors of publication | Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 6373 |
| a | 24.148 ± 0.008 Å |
| b | 23.858 ± 0.008 Å |
| c | 22.983 ± 0.008 Å |
| α | 90° |
| β | 117.759 ± 0.004° |
| γ | 90° |
| Cell volume | 11717 ± 7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1705 |
| Residual factor for significantly intense reflections | 0.142 |
| Weighted residual factors for significantly intense reflections | 0.3361 |
| Weighted residual factors for all reflections included in the refinement | 0.3457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170994 (current) | 2015-12-09 | cif/ Updating files of 1529286, 1529287, 1529288, 1529289, 1529290, 1529291, 1529292 Original log message: Adding full bibliography for 1529286--1529292.cif. |
1529288.cif |
| 152539 | 2015-07-25 | cif/ Adding structures of 1529286, 1529287, 1529288, 1529289, 1529290, 1529291, 1529292 via cif-deposit CGI script. |
1529288.cif |
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Users of the data should acknowledge the original authors of the
structural data.