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Information card for entry 4132272
Preview
| Coordinates | 4132272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H56 Cl2 N4 O4 |
|---|---|
| Calculated formula | C89 H52 Cl2 N4 O4 |
| SMILES | ClCCl.O1c2c(N(c3c4Nc5c(c6c7Nc8c(N9c%10c(Oc%11c9cc9c(c%11)cccc9)cc9ccccc9c%10)c9ccccc9cc8Oc7cc7c6cccc7)c6ccccc6cc5Oc4cc4ccccc34)c3cc4c(cc13)cccc4)cc1c(c2)cccc1.C(C)CCCCCC |
| Title of publication | Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality. |
| Authors of publication | Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 23 |
| Pages of publication | 7152 - 7158 |
| a | 11.5847 ± 0.0004 Å |
| b | 15.8101 ± 0.0005 Å |
| c | 19.4838 ± 0.0006 Å |
| α | 68.749 ± 0.0013° |
| β | 75.104 ± 0.0015° |
| γ | 78.43 ± 0.0014° |
| Cell volume | 3191.21 ± 0.18 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.3844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242269 (current) | 2019-11-26 | cif/ Adding structures of 4132272 via cif-deposit CGI script. |
4132272.cif |
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Users of the data should acknowledge the original authors of the
structural data.