Information card for entry 2012853

Structure parameters

• Chemical name: 1,6-bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)hexasulfane
• Formula: C16 H24 Cl2 O2 S6
• Calculated formula: C16 H24 Cl2 O2 S6
• SMILES: O=C1C(C)(C)C(C1(C)C)(Cl)SSSSSSC1(Cl)C(C)(C)C(=O)C1(C)C
• Title of publication: Four bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)oligosulfanes
• Authors of publication: Linden, Anthony; Majchrzak, Agnieszka; Cavegn, Jovita; Mloston, Grzegorz; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o480 - o484
• a: 7.1475 ± 0.0001 Å
• b: 7.1475 ± 0.0001 Å
• c: 46.3268 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2366.69 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.085
• 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