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Information card for entry 1505064
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1505064.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H54 Cl6 N2 O2 |
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Calculated formula | C42 H54 Cl6 N2 O2 |
SMILES | ClC(Cl)Cl.ClC(Cl)Cl.CCCCCCN1c2cc3c(cc2C(=O)c2c1ccc(c2)C(C)(C)C)N(CCCCCC)c1c(C3=O)cc(cc1)C(C)(C)C |
Title of publication | Alkyl and dendron substituted quinacridones: synthesis, structures, and luminescent properties. |
Authors of publication | Wang, Jia; Zhao, Yunfeng; Dou, Chuandong; Sun, Hui; Xu, Peng; Ye, Kaiqi; Zhang, Jingying; Jiang, Shimei; Li, Fei; Wang, Yue |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2007 |
Journal volume | 111 |
Journal issue | 19 |
Pages of publication | 5082 - 5089 |
a | 5.6794 ± 0.0001 Å |
b | 18.1714 ± 0.0008 Å |
c | 21.4441 ± 0.0001 Å |
α | 90° |
β | 96.877 ± 0.0007° |
γ | 90° |
Cell volume | 2197.17 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2711 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1782 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.679 |
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/1505064.html
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