Information card for entry 2001602

Structure parameters

• Formula: C31 H48 S2
• Calculated formula: C31 H48 S2
• SMILES: Sc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(c1cc(cc(c1S)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: Structure of 2,2-bis(3,5-di-<i>tert</i>-butylphenyl)propane-2',2''-dithiol
• Authors of publication: Hiller, W.; Rundel, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1127 - 1128
• a: 18.479 ± 0.002 Å
• b: 9.294 ± 0.001 Å
• c: 18.126 ± 0.002 Å
• α: 90°
• β: 99.41 ± 0.01°
• γ: 90°
• Cell volume: 3071.1 ± 0.6 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No