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Information card for entry 1551828
Preview
| Coordinates | 1551828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C190 H147 Cl6 F18 N20 O44 Zn3 |
|---|---|
| Calculated formula | C190 H147 Cl6 F18 N20 O44 Zn3 |
| SMILES | FC(F)(F)c1cc(NC(=O)Nc2ccc(c3ccc4[n]([Zn]567([n]8cc(ccc48)c4ccc(C#Cc8cc9[n]%10c(c8)C[O]8Cc%11ccc(cc%11)COCCOCCOCc%11ccc(cc%11)C[O](C9)[Zn]9%108[n]8c(c%10ccc(c%11ccc(cc%11)NC(=O)Nc%11cc(C(F)(F)F)cc(C(F)(F)F)c%11)c[n]9%10)ccc(c8)c8ccc(cc8)C#Cc8cc9COCc%10ccc(COCCOCCOCc%11ccc(C[O]%12[Zn]%13([n]%14c(ccc(c%15ccc(C#Cc%16cc%17C[O]5Cc5ccc(COCCOCCOCc%18ccc(C[O]7Cc(c%16)[n]6%17)cc%18)cc5)cc%15)c%14)c5[n]%13cc(cc5)c5ccc(NC(=O)Nc6cc(cc(c6)C(F)(F)F)C(F)(F)F)cc5)([n]9c(c8)C%12)[OH2])cc%11)cc%10)cc4)[OH2])c3)cc2)cc(c1)C(F)(F)F.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.N#CC.N#CC.N#CC.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles |
| Authors of publication | Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu |
| Journal of publication | Nature Chemistry |
| Year of publication | 2017 |
| Journal volume | 9 |
| Pages of publication | 128 - 134 |
| a | 12.1557 ± 0.0005 Å |
| b | 24.1339 ± 0.001 Å |
| c | 39.3371 ± 0.0009 Å |
| α | 85.206 ± 0.002° |
| β | 87.55 ± 0.002° |
| γ | 75.675 ± 0.004° |
| Cell volume | 11139.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3131 |
| Residual factor for significantly intense reflections | 0.1543 |
| Weighted residual factors for significantly intense reflections | 0.3195 |
| Weighted residual factors for all reflections included in the refinement | 0.4101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216449 (current) | 2019-06-21 | cif/ Adding structures of 1551828 via cif-deposit CGI script. |
1551828.cif |
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