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Information card for entry 1548371
Preview
| Coordinates | 1548371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (AAAA)-2 |
|---|---|
| Formula | C252 H324 N12 |
| Calculated formula | C252 H324 N12 |
| SMILES | N/1=C/c2cc3c(c4c5c6c7C(c8cc(/C=N/[C@H]9[C@H](/N=C/c%10cc%11c(c%12c%13c%14c%15C(c%16cc(/C=N/[C@H]%17[C@H](/N=C/c%18cc%19c(c%20c%21c(c%22ccc(cc%22C%21(CCCC)CCCC)/C=N/[C@H]%21[C@H](/N=C/c%22ccc%23c(c%22)C(c%22c%23c%23c(c%24c(cc(/C=N/[C@H]%25[C@H](/N=C/c%26cc(C%13(CCCC)CCCC)c%14cc%26)CCCC%25)cc%24)C%23(CCCC)CCCC)c%13c%22c%14c(cc(/C=N/[C@H]%22[C@H](/N=C/c%23cc(C5(CCCC)CCCC)c6cc%23)CCCC%22)cc%14)C%13(CCCC)CCCC)(CCCC)CCCC)CCCC%21)c5C(CCCC)(CCCC)c6cc(/C=N/[C@H]%13[C@H]1CCCC%13)ccc6c5c%20C%19(CCCC)CCCC)cc%18)CCCC%17)ccc%16c%15c%12C%11(CCCC)CCCC)(CCCC)CCCC)cc%10)CCCC9)ccc8c7c4C3(CCCC)CCCC)(CCCC)CCCC)cc2 |
| Title of publication | Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions |
| Authors of publication | Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 12469 |
| a | 23.3017 ± 0.0003 Å |
| b | 23.3017 ± 0.0003 Å |
| c | 51.4329 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 24185 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.1069 |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for significantly intense reflections | 0.2428 |
| Weighted residual factors for all reflections included in the refinement | 0.2551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203934 (current) | 2017-12-04 | cif/ Adding structures of 1548371 via cif-deposit CGI script. |
1548371.cif |
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Users of the data should acknowledge the original authors of the
structural data.