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Information card for entry 4036355
Preview
Coordinates | 4036355.cif |
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Original paper (by DOI) | HTML |
Formula | C61 H53 Cl3 N12 |
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Calculated formula | C61 H53 Cl3 N12 |
Title of publication | Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages. |
Authors of publication | Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 18 |
Pages of publication | 9272 - 9278 |
a | 19.89 ± 0.003 Å |
b | 19.89 ± 0.003 Å |
c | 6.3216 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2500.9 ± 0.7 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 102 |
Hermann-Mauguin space group symbol | P 42 n m |
Hall space group symbol | P 4n -2n |
Residual factor for all reflections | 0.0587 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1457 |
Weighted residual factors for all reflections included in the refinement | 0.1468 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
234596 (current) | 2019-11-23 | cif/ Adding structures of 4036355 via cif-deposit CGI script. |
4036355.cif |
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Users of the data should acknowledge the original authors of the
structural data.