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Information card for entry 1000027
Preview
| Coordinates | 1000027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Acrinol anhydrous form II |
|---|---|
| Formula | C18 H21 N3 O4 |
| Calculated formula | C18 H21 N3 O4 |
| Title of publication | Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques |
| Authors of publication | Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2010 |
| Journal volume | 114 |
| Journal issue | 1 |
| Pages of publication | 580 - 586 |
| a | 14.0496 ± 0.0005 Å |
| b | 11.80399 ± 0.00019 Å |
| c | 20.9323 ± 0.0008 Å |
| α | 90° |
| β | 100.936 ± 0.0033° |
| γ | 90° |
| Cell volume | 3408.4 ± 0.19 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| RFsqd | 0.08533 |
| Goodness-of-fit parameter for all reflections | 3.61 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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