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Information card for entry 1506362
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1506362.cif |
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Original paper (by DOI) | HTML |
Common name | Dibutyl-tetramethyl-quinacridone |
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Formula | C32 H36 N2 O2 |
Calculated formula | C32 H36 N2 O2 |
SMILES | O=C1c2c(cc(cc2N(c2c1cc1N(c3c(C(=O)c1c2)c(cc(c3)C)C)CCCC)CCCC)C)C |
Title of publication | Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. |
Authors of publication | Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2005 |
Journal volume | 109 |
Journal issue | 16 |
Pages of publication | 8008 - 8016 |
a | 5.0894 ± 0.0001 Å |
b | 16.0916 ± 0.0013 Å |
c | 15.8959 ± 0.0004 Å |
α | 90° |
β | 98.732 ± 0.002° |
γ | 90° |
Cell volume | 1286.73 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1847 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1559 |
Weighted residual factors for all reflections included in the refinement | 0.1983 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.729 |
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/1506362.html
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