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Information card for entry 7244173
Preview
| Coordinates | 7244173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H47 N5 O36 Pr3 |
|---|---|
| Calculated formula | C35 H15 N5 O36 Pr3 |
| Title of publication | Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY |
| Authors of publication | Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 22.3971 ± 0.0006 Å |
| b | 13.9013 ± 0.0001 Å |
| c | 17.865 ± 0.0005 Å |
| α | 90° |
| β | 114.487 ± 0.001° |
| γ | 90° |
| Cell volume | 5062 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1139 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271978 (current) | 2022-01-11 | cif/ Adding structures of 7244173, 7244174 via cif-deposit CGI script. |
7244173.cif |
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Users of the data should acknowledge the original authors of the
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