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Information card for entry 7052878
Preview
Coordinates | 7052878.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H88 N6 O9 |
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Calculated formula | C72 H88 N6 O9 |
SMILES | O(c1c2cc(cc1Cc1cc(cc(c1O)Cc1cc(cc(c1OCC(=O)Nc1cnc3ccccc3c1)Cc1cc(cc(c1O)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CC(=O)Nc1cnc2ccccc2c1.N(C)(C)C=O.N(C)(C)C=O.O |
Title of publication | Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies |
Authors of publication | Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal |
Journal of publication | New Journal of Chemistry |
Year of publication | 2012 |
Journal volume | 36 |
Journal issue | 4 |
Pages of publication | 988 |
a | 33.741 ± 0.006 Å |
b | 17.823 ± 0.003 Å |
c | 21.667 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13030 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1104 |
Residual factor for significantly intense reflections | 0.0899 |
Weighted residual factors for significantly intense reflections | 0.2024 |
Weighted residual factors for all reflections included in the refinement | 0.215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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