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Information card for entry 1557519
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| Coordinates | 1557519.cif |
|---|---|
| Structure factors | 1557519.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate |
|---|---|
| Formula | C27 H33 N7 O3 |
| Calculated formula | C27 H33 N7 O3 |
| Title of publication | Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate |
| Authors of publication | Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | x200281 |
| a | 16.7781 ± 0.0017 Å |
| b | 16.3902 ± 0.0018 Å |
| c | 4.7894 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1317.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249121 (current) | 2020-03-06 | cif/ hkl/ Adding structures of 1557519 via cif-deposit CGI script. |
1557519.cif 1557519.hkl |
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