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Information card for entry 1501887
Preview
Coordinates | 1501887.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H24 N4 O5 |
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Calculated formula | C38 H24 N4 O5 |
SMILES | O1c2cccc(c2)Oc2cccc(c2)Oc2nc(nc(c2)Oc2cc(ccc2)Oc2nc(nc1c2)c1ccccc1)c1ccccc1 |
Title of publication | Odd-numbered oxacalix[n]arenes (n = 5, 7): synthesis and solid-state structures. |
Authors of publication | Van Rossom, Wim; Robeyns, Koen; Ovaere, Magriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 126 - 129 |
a | 11.2893 ± 0.001 Å |
b | 11.9604 ± 0.0017 Å |
c | 12.11 ± 0.0012 Å |
α | 84.75 ± 0.008° |
β | 84.635 ± 0.006° |
γ | 76.004 ± 0.008° |
Cell volume | 1575.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1007 |
Residual factor for significantly intense reflections | 0.0842 |
Weighted residual factors for significantly intense reflections | 0.1718 |
Weighted residual factors for all reflections included in the refinement | 0.1784 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1501887.html
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