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Information card for entry 7053018
Preview
Coordinates | 7053018.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H14 N4 O |
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Calculated formula | C18 H14 N4 O |
SMILES | O=C(Nc1nc2ccccc2cc1)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 | 22.003 ± 0.004 Å |
b | 7.1308 ± 0.0014 Å |
c | 18.677 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2930.4 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0859 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7053018.html
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