Information card for entry 2012045

Structure parameters

• Chemical name: Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]
• Formula: C26 H16 S4
• Calculated formula: C26 H16 S4
• SMILES: S1SSSC2(C31c1ccccc1c1ccccc31)c1ccccc1c1ccccc21
• Title of publication: Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]
• Authors of publication: Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 764 - 766
• a: 13.51 ± 0.003 Å
• b: 18.014 ± 0.007 Å
• c: 16.795 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4087 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes