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Information card for entry 4026641
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Coordinates | 4026641.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | pzmet |
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Formula | C22 H29 N7 O8 |
Calculated formula | C22 H29 N7 O8 |
Title of publication | Hydrogen-Bond-Mediated Self-Assembly of 26-Membered Diaza Tetraester Crowns of 3,5-Disubstituted 1H-Pyrazole. Dimerization Study in the Solid State and in CDCl3 Solution |
Authors of publication | Felipe Reviriego; Pilar Navarro; Vicente J. Arán; Maria Luisa Jimeno; Enrique García-España; Julio Latorre; Maria J. R. Yunta |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 8223 - 8231 |
a | 13.107 ± 0.0002 Å |
b | 13.107 ± 0.0002 Å |
c | 30.351 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5214.1 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0979 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1892 |
Weighted residual factors for all reflections included in the refinement | 0.2266 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026641.html
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Users of the data should acknowledge the original authors of the
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