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Information card for entry 4119152
Preview
| Coordinates | 4119152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H98 Cl16 N6 O8 Sb4 |
|---|---|
| Calculated formula | C104 H98 Cl16 N6 O8 Sb4 |
| SMILES | c12c(ccc3n(c4cccc(OC)c4c(c23)c(o1)c1c2c([n+](c3cccc(OC)c13)c1ccc(cc1)C(C)(C)C)cccc2OC)c1ccc(cc1)C(C)(C)C)c1c2oc(c3c4c(cccc4OC)n(c(cc1)c23)c1ccc(cc1)C(C)(C)C)c1c2c([n+](c3cccc(OC)c13)c1ccc(cc1)C(C)(C)C)cccc2OC.N#CC.Cl[Sb](Cl)([Cl-])Cl.Cl[Sb](Cl)(Cl)[Cl-].N#CC.Cl[Sb](Cl)([Cl-])Cl.Cl[Sb](Cl)(Cl)[Cl-] |
| Title of publication | Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor |
| Authors of publication | Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 232 - 241 |
| a | 10.899 ± 0.005 Å |
| b | 15.951 ± 0.007 Å |
| c | 16.719 ± 0.007 Å |
| α | 73.896 ± 0.005° |
| β | 86.601 ± 0.006° |
| γ | 78.579 ± 0.005° |
| Cell volume | 2737 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1137 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178962 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91. |
4119152.cif |
| 103222 | 2014-02-27 | cif/ Adding structures of 4119152 via cif-deposit CGI script. |
4119152.cif |
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Users of the data should acknowledge the original authors of the
structural data.