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Information card for entry 7155997
Preview
| Coordinates | 7155997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | FRP-6 |
|---|---|
| Formula | C300 H324 N12 |
| Calculated formula | C300 H324 N12 |
| SMILES | CCCCC1(c2c3c4c1c1c5c6cc(C=N[C@H]([C@@H](N=Cc7cc8c(c9c%10C(c%11c%12c%10c%10C(c%13cc(C=N[C@H]([C@@H](N=Cc%14cc%15c(cc%14)c%14c(c%16c%17c(cc(cc%17)C=N[C@H]([C@@H](N=Cc(cc3)c2)c2ccccc2)c2ccccc2)C(CCCC)(CCCC)c%16c2c3c(cc(cc3)C=N[C@H]([C@@H](N=Cc3cc%16c(c%17c(C%16(CCCC)CCCC)c%16c%18c(cc(C=N[C@H]([C@H](c%19ccccc%19)N=Cc%19cc%20c(c(c1C6(CCCC)CCCC)c4C%20(CCCC)CCCC)cc%19)c1ccccc1)cc%18)C(c%16c1c4c(cc(C=N[C@@H](c6ccccc6)[C@H](c6ccccc6)N=Cc(c%11)cc%12)cc4)C(c%171)(CCCC)CCCC)(CCCC)CCCC)cc3)c1ccccc1)c1ccccc1)C(c%142)(CCCC)CCCC)C%15(CCCC)CCCC)c1ccccc1)c1ccccc1)ccc%13c%10c9C8(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)cc7)c1ccccc1)c1ccccc1)cc5)CCCC.CCCCC1(c2c3c4c1c1c5c6cc(C=N[C@@H]([C@H](N=Cc7cc8c(c9c%10C(c%11c%12c%10c%10C(c%13cc(C=N[C@@H]([C@H](N=Cc%14cc%15c(cc%14)c%14c(c%16c%17c(cc(cc%17)C=N[C@@H]([C@H](N=Cc(cc3)c2)c2ccccc2)c2ccccc2)C(CCCC)(CCCC)c%16c2c3c(cc(cc3)C=N[C@@H]([C@H](N=Cc3cc%16c(c%17c(C%16(CCCC)CCCC)c%16c%18c(cc(C=N[C@@H]([C@@H](c%19ccccc%19)N=Cc%19cc%20c(c(c1C6(CCCC)CCCC)c4C%20(CCCC)CCCC)cc%19)c1ccccc1)cc%18)C(c%16c1c4c(cc(C=N[C@H](c6ccccc6)[C@@H](c6ccccc6)N=Cc(c%11)cc%12)cc4)C(c%171)(CCCC)CCCC)(CCCC)CCCC)cc3)c1ccccc1)c1ccccc1)C(c%142)(CCCC)CCCC)C%15(CCCC)CCCC)c1ccccc1)c1ccccc1)ccc%13c%10c9C8(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)cc7)c1ccccc1)c1ccccc1)cc5)CCCC |
| 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 | 24.68 ± 0.0009 Å |
| b | 24.68 ± 0.0009 Å |
| c | 101.978 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 53793 ± 4 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1743 |
| Residual factor for significantly intense reflections | 0.126 |
| Weighted residual factors for significantly intense reflections | 0.3615 |
| Weighted residual factors for all reflections included in the refinement | 0.4099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230640 (current) | 2019-11-17 | cif/ Updating files of 7155997, 7155998 Original log message: Adding full bibliography for 7155997--7155998.cif. |
7155997.cif |
| 204136 | 2017-12-10 | cif/7/ Updating space group information in entries 7105786, 7106158, 7116079, 7118002, 7118629, 7118630, 7118631, 7119705, 7154994, 7155997, 7155653. |
7155997.cif |
| 203677 | 2017-11-28 | cif/ Adding structures of 7155997, 7155998 via cif-deposit CGI script. |
7155997.cif |
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Users of the data should acknowledge the original authors of the
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