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Information card for entry 7249693
Preview
| Coordinates | 7249693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H42 N8 O3 |
|---|---|
| Calculated formula | C31 H42 N8 O3 |
| Title of publication | Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine:barbiturate co-crystals: from rosette to linear tape polymorphs |
| Authors of publication | Batista Martins, Inês Catarina; Belenguer, Ana M.; Lampronti, Giulio Isacco; Motloch, Petr |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 9.6921 ± 0.0008 Å |
| b | 15.7727 ± 0.0014 Å |
| c | 12.6377 ± 0.0012 Å |
| α | 90° |
| β | 121.623 ± 0.006° |
| γ | 90° |
| Cell volume | 1645.1 ± 0.3 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor R(I) for significantly intense reflections | 1.6006 |
| Goodness-of-fit parameter for all reflections | 2.274 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | XCelerator |
| Diffraction radiation wavelength | 1.54175 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296864 (current) | 2024-12-14 | cif/ Adding structures of 7249693 via cif-deposit CGI script. |
7249693.cif |
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