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Information card for entry 7038769
Preview
Coordinates | 7038769.cif |
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Original paper (by DOI) | HTML |
Formula | C87 H75 N7 O3 |
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Calculated formula | C87 H75 N7 O3 |
SMILES | c1c(cccc1)C(=C(c1ccc(NC(=O)NCCN(CCNC(=O)Nc2ccc(cc2)C(=C(c2ccccc2)c2ccccc2)c2ccccc2)CCNC(=O)Nc2ccc(cc2)C(c2ccccc2)=C(c2ccccc2)c2ccccc2)cc1)c1ccccc1)c1ccccc1 |
Title of publication | Phosphate-induced fluorescence of a tetraphenylethene-substituted tripodal tris(urea) receptor. |
Authors of publication | Zhao, Jie; Yang, Dong; Zhao, Yanxia; Cao, Liping; Zhang, Zhibin; Yang, Xiao-Juan; Wu, Biao |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7360 - 7365 |
a | 13.72 ± 0.004 Å |
b | 15.939 ± 0.005 Å |
c | 19.972 ± 0.006 Å |
α | 70.578 ± 0.007° |
β | 78.928 ± 0.007° |
γ | 70.749 ± 0.007° |
Cell volume | 3872 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.19 |
Residual factor for significantly intense reflections | 0.0829 |
Weighted residual factors for significantly intense reflections | 0.1656 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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