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Information card for entry 1559210
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| Coordinates | 1559210.cif |
|---|---|
| Structure factors | 1559210.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate |
|---|---|
| Formula | C22 H21 N O4 |
| Calculated formula | C22 H21 N O4 |
| Title of publication | 10-Phenyl-10<i>H</i>-phenoxazine-4,6-diol tetrahydrofuran monosolvate |
| Authors of publication | Whalen, Aislinn C.; Hernandez Brito, Claudia; Choi, Kyoung H.; Warner, Ellen J. T.; Thole, David A.; Gau, Michael R.; Carroll, Patrick J.; Anstey, Mitchell R. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | x201276 |
| a | 8.2694 ± 0.0003 Å |
| b | 21.1783 ± 0.0008 Å |
| c | 10.705 ± 0.0004 Å |
| α | 90° |
| β | 111.117 ± 0.001° |
| γ | 90° |
| Cell volume | 1748.89 ± 0.11 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256800 (current) | 2020-09-26 | cif/ hkl/ Adding structures of 1559210 via cif-deposit CGI script. |
1559210.cif 1559210.hkl |
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