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Information card for entry 1552261
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| Coordinates | 1552261.cif |
|---|---|
| Structure factors | 1552261.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-(Cycloheptylidene)thiosemicarbazide |
|---|---|
| Formula | C8 H15 N3 S |
| Calculated formula | C8 H15 N3 S |
| Title of publication | 1-(Cycloheptylidene)thiosemicarbazide |
| Authors of publication | Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 8 |
| Pages of publication | x191153 |
| a | 12.7584 ± 0.0008 Å |
| b | 11.706 ± 0.0007 Å |
| c | 13.3452 ± 0.0008 Å |
| α | 90° |
| β | 92.273 ± 0.002° |
| γ | 90° |
| Cell volume | 1991.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217681 (current) | 2019-08-23 | cif/ hkl/ Adding structures of 1552261 via cif-deposit CGI script. |
1552261.cif 1552261.hkl |
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