Information card for entry 1559026

Structure parameters

• Common name: 2,11-Dithia[3.3]metaparacyclophane
• Formula: C16 H16 S2
• Calculated formula: C16 S2
• Title of publication: Disordered Crystal Structure of 2,11-Dithia[3.3]metaparacyclophane
• Authors of publication: Kivekas, Raikko; Klinga, Martti; Almajano, Maria Pilar; Teixidor, Francesc; Casabo, Jaume
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 1035 - 1037
• a: 7.293 ± 0.002 Å
• b: 12.539 ± 0.004 Å
• c: 7.621 ± 0.001 Å
• α: 90°
• β: 97.84 ± 0.01°
• γ: 90°
• Cell volume: 690.4 ± 0.3 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No