Information card for entry 2015230

Structure parameters

• Common name: cyclooctanespiro-4'-imidazolidine-2',5'-dithione
• Chemical name: 1,3-diazaspiro[4.7]dodecane-2,4-dithione
• Formula: C10 H16 N2 S2
• Calculated formula: C10 H16 N2 S2
• SMILES: S=C1NC(=S)NC21CCCCCCC2
• 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: 8.484 ± 0.002 Å
• b: 11.5018 ± 0.0018 Å
• c: 23.992 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.2 ± 1.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No