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Information card for entry 4119152
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4119152.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H98 Cl16 N6 O8 Sb4 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119152.html
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Users of the data should acknowledge the original authors of the
structural data.