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Information card for entry 1557176
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| Coordinates | 1557176.cif |
|---|---|
| Structure factors | 1557176.hkl |
| Original IUCr paper | HTML |
| Chemical name | [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide |
|---|---|
| Formula | C25 H22 N2 O2 Se |
| Calculated formula | C25 H22 N2 O2 Se |
| Title of publication | [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide |
| Authors of publication | Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | x200078 |
| a | 13.209 ± 0.007 Å |
| b | 6.343 ± 0.003 Å |
| c | 27.08 ± 0.014 Å |
| α | 90° |
| β | 103.356 ± 0.008° |
| γ | 90° |
| Cell volume | 2207.5 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0797 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247339 (current) | 2020-01-29 | cif/ hkl/ Adding structures of 1557176 via cif-deposit CGI script. |
1557176.cif 1557176.hkl |
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Users of the data should acknowledge the original authors of the
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