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Information card for entry 1551305
Preview
| Coordinates | 1551305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HCO-(Adm)3-NHtBu bis-DMSO solvate |
|---|---|
| Formula | C42 H68 N4 O6 S2 |
| Calculated formula | C42 H68 N4 O6 S2 |
| Title of publication | Isolated α-turn and incipient γ-helix |
| Authors of publication | M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.8603 ± 0.0003 Å |
| b | 43.035 ± 0.0014 Å |
| c | 38.9591 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16531.8 ± 0.9 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1585 |
| Weighted residual factors for all reflections included in the refinement | 0.1645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215795 (current) | 2019-06-11 | cif/ Adding structures of 1551301, 1551302, 1551303, 1551304, 1551305 via cif-deposit CGI script. |
1551305.cif |
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Users of the data should acknowledge the original authors of the
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