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Information card for entry 2020574
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| Coordinates | 2020574.cif |
|---|---|
| Structure factors | 2020574.hkl |
| Original paper (by DOI) | HTML |
| Common name | b-mFPU |
|---|---|
| Chemical name | 1,3-Bis(3-fluorophenyl)urea |
| Formula | C13 H10 F2 N2 O |
| Calculated formula | C13 H10 F2 N2 O |
| Title of publication | Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea |
| Authors of publication | Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 9 |
| a | 23.5797 ± 0.0019 Å |
| b | 10.1792 ± 0.0008 Å |
| c | 4.6031 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1104.85 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186036 (current) | 2016-08-27 | cif/ hkl/ Adding structures of 2020573, 2020574 via cif-deposit CGI script. |
2020574.cif 2020574.hkl |
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