Information card for entry 1556967

Structure parameters

• Formula: C58 H40 S2
• Calculated formula: C5.54545 S0.181818
• Title of publication: Synthesis of trans-(±)-1,2,3,3a,4a,5,6,7-Octaphenyl- 3aH,4aH-dicyclopenta[b,e][1,4]dithiin by Dimerization and Further Rearrangement of the Transient 2,3,4,5-Tetraphenyl-2,4-cyclopentadiene-1-thione
• Authors of publication: Henriksen, Michael; Hazell, Rita G.; Larsen, Finn Krebs; Schultz, Thomas; Sylvester-Hvid, Kristian O.; Klabunde, Kenneth J.; Mikkelsen, Kurt V.; Senning, Alexander
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 950 - 957
• a: 14.419 ± 0.009 Å
• b: 13.874 ± 0.008 Å
• c: 16.723 ± 0.009 Å
• α: 108.8 ± 0.03°
• β: 62.58 ± 0.03°
• γ: 132.38 ± 0.03°
• Cell volume: 2193 ± 3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0953
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No