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Information card for entry 7053017
Preview
Coordinates | 7053017.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 N4 O4 |
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Calculated formula | C18 H14 N4 O |
SMILES | c12ccccc1ccc(n2)NC(=O)Nc1cccc2cc[nH]c12 |
Title of publication | Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly |
Authors of publication | Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea |
Journal of publication | New Journal of Chemistry |
Year of publication | 2013 |
Journal volume | 37 |
Journal issue | 3 |
Pages of publication | 663 |
a | 32.989 ± 0.007 Å |
b | 32.989 ± 0.007 Å |
c | 7.098 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6690 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.099 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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