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Information card for entry 7230048
Preview
Coordinates | 7230048.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H17 N3 O2 |
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Calculated formula | C18 H17 N3 O2 |
SMILES | Oc1ccccc1/C=N/c1c(=O)n(n(c1C)C)c1ccccc1 |
Title of publication | Polynuclear ampyrone based 3d coordination clusters |
Authors of publication | Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 10 |
Pages of publication | 1411 |
a | 7.4861 ± 0.0003 Å |
b | 7.4773 ± 0.0003 Å |
c | 27.3003 ± 0.001 Å |
α | 90° |
β | 95.532 ± 0.004° |
γ | 90° |
Cell volume | 1521.04 ± 0.1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0482 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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