Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015229
2015228 << 2015229 >> 2015230Preview
|
Coordinates |
2015229.cif |
|
Original IUCr paper |
HTML |
Structure parameters
| Common name | cycloheptanespiro-4'-imidazolidine-2',5'-dithione |
| Chemical name | 1,3-diazaspiro[4.6]undecane-2,4-dithione |
| Formula | - C9 H14 N2 S2 - |
| Calculated formula | - C9 H14 N2 S2 - |
| Title of publication | Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones |
| Authors of publication | Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o211 - o215 |
| a | 7.4041 ± 0.0014 Å |
| b | 17.859 ± 0.004 Å |
| c | 8.4491 ± 0.0014 Å |
| α | 90° |
| β | 105.848 ± 0.019° |
| γ | 90° |
| Cell volume | 1074.7 ± 0.4 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.048 |
| Residual factor for observed reflections | 0.0337 |
| Weighted residual factors for the observed reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for observed reflections | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |