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Information card for entry 1560707
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| Coordinates | 1560707.cif |
|---|---|
| Structure factors | 1560707.hkl |
| Original IUCr paper | HTML |
| Chemical name | 13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one |
|---|---|
| Formula | C30 H31 N O3 S2 |
| Calculated formula | C30 H31 N O3 S2 |
| Title of publication | 13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one |
| Authors of publication | Vinotha, G.; Sundar, T. V.; Sharmila, N. |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | x210210 |
| a | 25.375 ± 0.0004 Å |
| b | 25.375 ± 0.0004 Å |
| c | 8.6456 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5566.82 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262302 (current) | 2021-02-27 | cif/ hkl/ Adding structures of 1560707 via cif-deposit CGI script. |
1560707.cif 1560707.hkl |
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Users of the data should acknowledge the original authors of the
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