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Information card for entry 7155998
Preview
| Coordinates | 7155998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | FRP-7 |
|---|---|
| Formula | C252 H324 N12 |
| Calculated formula | C252 H324 N12 |
| SMILES | c1c2C=N[C@H]3[C@H](N=Cc4ccc5c(c4)C(c4c5c5C(c6cc7C=N[C@H]8[C@H](N=Cc9ccc%10c(c9)C(c9c%10c%10C(c%11cc%12C=N[C@H]%13[C@H](N=Cc%14ccc%15c(c%14)C(c%14c%15c%15C(c1c(cc2)c%15c1c%14c2c(cc(C=N[C@H]%14[C@H](N=Cc%15cc%16c(c%17c(C%16(CCCC)CCCC)c%16c(c%18c%17C(c%17cc(C=N[C@H]%19[C@@H](CCCC%19)N=Cc%19cc%20C(c(c5c6cc7)c4c%20cc%19)(CCCC)CCCC)ccc%18%17)(CCCC)CCCC)C(c4cc(C=N[C@H]5[C@@H](CCCC5)N=Cc5cc6C(c(c%10c%11cc%12)c9c6cc5)(CCCC)CCCC)ccc%164)(CCCC)CCCC)cc%15)CCCC%14)cc2)C1(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)CCCC%13)(CCCC)CCCC)(CCCC)CCCC)CCCC8)(CCCC)CCCC)(CCCC)CCCC)CCCC3.c1c2C=N[C@@H]3[C@@H](N=Cc4ccc5c(c4)C(c4c5c5C(c6cc7C=N[C@@H]8[C@@H](N=Cc9ccc%10c(c9)C(c9c%10c%10C(c%11cc%12C=N[C@@H]%13[C@@H](N=Cc%14ccc%15c(c%14)C(c%14c%15c%15C(c1c(cc2)c%15c1c%14c2c(cc(C=N[C@@H]%14[C@@H](N=Cc%15cc%16c(c%17c(C%16(CCCC)CCCC)c%16c(c%18c%17C(c%17cc(C=N[C@@H]%19[C@H](CCCC%19)N=Cc%19cc%20C(c(c5c6cc7)c4c%20cc%19)(CCCC)CCCC)ccc%18%17)(CCCC)CCCC)C(c4cc(C=N[C@@H]5[C@H](CCCC5)N=Cc5cc6C(c(c%10c%11cc%12)c9c6cc5)(CCCC)CCCC)ccc%164)(CCCC)CCCC)cc%15)CCCC%14)cc2)C1(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)CCCC%13)(CCCC)CCCC)(CCCC)CCCC)CCCC8)(CCCC)CCCC)(CCCC)CCCC)CCCC3 |
| Title of publication | Narcissistic chiral self-sorting of molecular face-rotating polyhedra. |
| Authors of publication | Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2017 |
| Journal volume | 16 |
| Journal issue | 1 |
| Pages of publication | 34 - 37 |
| a | 27.8827 ± 0.0006 Å |
| b | 27.8827 ± 0.0006 Å |
| c | 25.2681 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 17012.7 ± 0.6 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.1242 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2951 |
| Weighted residual factors for all reflections included in the refinement | 0.3293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155998.cif |
| 230640 | 2019-11-17 | cif/ Updating files of 7155997, 7155998 Original log message: Adding full bibliography for 7155997--7155998.cif. |
7155998.cif |
| 203677 | 2017-11-28 | cif/ Adding structures of 7155997, 7155998 via cif-deposit CGI script. |
7155998.cif |
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Users of the data should acknowledge the original authors of the
structural data.