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Information card for entry 2242210
Preview
| Coordinates | 2242210.cif |
|---|---|
| Structure factors | 2242210.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine |
|---|---|
| Formula | C26 H25 N |
| Calculated formula | C26 H25 N |
| Title of publication | Crystal structure of (<i>E</i>)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine |
| Authors of publication | Al-Rubaye, Baidaa K.; Brink, Alice; Miller, Gary J.; Potgieter, Herman; Al-Jeboori, Mohamad J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 1092 - 1096 |
| a | 11.0758 ± 0.0008 Å |
| b | 12.4989 ± 0.0011 Å |
| c | 14.2425 ± 0.0013 Å |
| α | 98.088 ± 0.003° |
| β | 96.537 ± 0.003° |
| γ | 102.151 ± 0.003° |
| Cell volume | 1887.2 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0808 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199176 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242210 via cif-deposit CGI script. |
2242210.cif 2242210.hkl |
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Users of the data should acknowledge the original authors of the
structural data.