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Information card for entry 7056452
Preview
| Coordinates | 7056452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H80 Cl6 N8 |
|---|---|
| Calculated formula | C80 H80 Cl6 N8 |
| Title of publication | Exploring Gem-Dimethyl Effect in the Formation of Imine-Based Macrocycles and Cages |
| Authors of publication | Madhu, Suresh; Rashmi, E.; Gonnade, Rajesh G.; Sanjayan, G. J. |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 24.2039 ± 0.0009 Å |
| b | 14.9856 ± 0.0006 Å |
| c | 19.4818 ± 0.0008 Å |
| α | 90° |
| β | 98.214 ± 0.001° |
| γ | 90° |
| Cell volume | 6993.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1031 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198882 (current) | 2017-07-21 | cif/ Adding structures of 7056451, 7056452, 7056453, 7056454, 7056455 via cif-deposit CGI script. |
7056452.cif |
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Users of the data should acknowledge the original authors of the
structural data.