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Information card for entry 4123644
Preview
| Coordinates | 4123644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H97 Cl3 N6 O10 |
|---|---|
| Calculated formula | C70.006 H97.007 Cl3 N6 O10 |
| Title of publication | Heterogeneous h-bonding in a foldamer helix. |
| Authors of publication | Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 20 |
| Pages of publication | 6484 - 6487 |
| a | 22.772 ± 0.003 Å |
| b | 14.5752 ± 0.0011 Å |
| c | 25.663 ± 0.003 Å |
| α | 90° |
| β | 103.502 ± 0.013° |
| γ | 90° |
| Cell volume | 8282.3 ± 1.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138220 (current) | 2015-06-05 | cif/ Updating files of 4123639, 4123640, 4123641, 4123642, 4123643, 4123644, 4123645 Original log message: Adding full bibliography for 4123639--4123645.cif. |
4123644.cif |
| 136616 | 2015-05-16 | cif/ Adding structures of 4123644 via cif-deposit CGI script. |
4123644.cif |
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Users of the data should acknowledge the original authors of the
structural data.