Information card for entry 2013380

Structure parameters

• Chemical name: 2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane
• Formula: C28 H44 S6
• Calculated formula: C28 H44 S6
• SMILES: S1C2(SCCSCCSC3(SCCSCC1)C1CC4CC(CC3C4)C1)C1CC3CC(CC2C3)C1
• Title of publication: Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane]
• Authors of publication: Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o314 - o316
• a: 15.154 ± 0.004 Å
• b: 10.499 ± 0.003 Å
• c: 36.743 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5846 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes