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Information card for entry 1574139
Preview
| Coordinates | 1574139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C528 H353 N3 O6 |
|---|---|
| Calculated formula | C437 H249 N3 O6 |
| SMILES | N1(C(=O)c2cc3c4c5ccc6C78C9%10c%11c6c5c(cc%11)c5c4c2c(cc5c2cc4cc(c2)c2cc(c5cc(c6cc%11c%12c%13c%14c%15c(ccc7c%15c9cc%14)c7c(cc9c(c%137)c(c%12)C(=O)N(C9=O)C(CCCCC)CCCCC)c7cc9c%12cc(c%13cc(c%14cc(c%15c%16c%17ccc8c8c%17c(ccc%108)c8c%16c%10c(c%15)C(=O)N(C(=O)c%10cc8c8cc(c%10cc(c%15cc4cc(C(C)(C)C)c%15)cc(C(C)(C)C)c%10)cc(c8)c4cc(cc(C(C)(C)C)c4)c4cc(cc(C(C)(C)C)c4)c(c%11)c6)C(CCCCC)CCCCC)cc(c4cc(c6cc(c8cc3cc(c8)c3cc(c8cc(c(c7)c9)cc(C(C)(C)C)c8)cc(C(C)(C)C)c3)cc(C(C)(C)C)c6)cc(C(C)(C)C)c4)c%14)cc(C(C)(C)C)c%13)cc(C(C)(C)C)c%12)cc(C(C)(C)C)c5)cc(C(C)(C)C)c2)C1=O)C(CCCCC)CCCCC.c12c3c4c5c1c1c6c7c5c5c8c4c4c9c3c3c%10c2c2c%11c%10c%10c%12c%13c%14c%15c%16c%17c%14c%14c%18c%19c%17c%17c%20c%16c%16c%21c%15c%15c%13c%10c3c9c%15c%21c4c8c%16c%20c5c7c%17c%19c6c(c12)c%18c%11c%12%14.c12c3c4c5c1c1c6c7c5c5c8c4c4c9c3c3c%10c2c2c%11c%10c%10c%12c%13c%14c%15c%16c%17c%18c%15c%12c%12c%15c%18c%18c(c4c8c4c%18c%17c8c4c5c7c4c8c%16c5c4c6c(c12)c(c%145)c%11%13)c%15c9c3c%10%12.c12c3c4c5c1c1c6c7c5c5c8c4c4c9c3c3c%10c2c2c%11c%10c%10c%12c%13c%14c%15c%16c%17c%18c%15c%12c%12c%10c3c9c3c%12c%18c9c3c4c8c3c4c5c7c5c7c6c(c12)c(c%14c7c%16c5c4c%17c93)c%11%13 |
| Title of publication | A triply linked propellane-nanoring hybrid serving as a good host |
| Authors of publication | Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 16 |
| Pages of publication | 6822 - 6827 |
| a | 22.4394 ± 0.0011 Å |
| b | 25.032 ± 0.0012 Å |
| c | 34.7003 ± 0.0012 Å |
| α | 84.936 ± 0.003° |
| β | 79.688 ± 0.004° |
| γ | 67.852 ± 0.005° |
| Cell volume | 17756.8 ± 1.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2463 |
| Residual factor for significantly intense reflections | 0.1478 |
| Weighted residual factors for significantly intense reflections | 0.2824 |
| Weighted residual factors for all reflections included in the refinement | 0.3106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300607 (current) | 2025-07-06 | cif/ Updating files of 1574137, 1574138, 1574139 Original log message: Adding full bibliography for 1574137--1574139.cif. |
1574139.cif |
| 298381 | 2025-03-12 | cif/ Adding structures of 1574137, 1574138, 1574139 via cif-deposit CGI script. |
1574139.cif |
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Users of the data should acknowledge the original authors of the
structural data.