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Information card for entry 4516259
Preview
| Coordinates | 4516259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H13 N7 O |
|---|---|
| Calculated formula | C6 H13 N7 O |
| SMILES | n1c(nc(nc1N)N)N.N(C=O)(C)C |
| Title of publication | Solvent Dependent Structures of Melamine: Porous or Nonporous? |
| Authors of publication | Li, Peng; Arman, Hadi D.; Wang, Hailong; Weng, Linhong; Alfooty, Khalid; Angawi, Rehab F.; Chen, Banglin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1871 |
| a | 12.15 ± 0.002 Å |
| b | 12.15 ± 0.002 Å |
| c | 24.405 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3602.7 ± 0.9 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1 |
| Residual factor for significantly intense reflections | 0.085 |
| Weighted residual factors for significantly intense reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231213 (current) | 2019-11-22 | cif/ Adding structures of 4516259 via cif-deposit CGI script. |
4516259.cif |
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Users of the data should acknowledge the original authors of the
structural data.