Information card for entry 4022096

Structure parameters

• Formula: C34 H34 O2 S16
• Calculated formula: C34 H34 O2 S16
• SMILES: C1(=C2SC(=C(S2)SC)SC)SC(=C(S1)SCc1ccc(c(c1)c1c(ccc(c1)CSC1=C(SC)SC(=C2SC(=C(S2)SC)SC)S1)OC)OC)SC
• Title of publication: Electroactive C~2~ Symmetry Receptors Based on the Biphenyl Scaffold and Tetrathiafulvalene Units
• Authors of publication: Giovanna Delogu; Davide Fabbri; Maria Antonietta Dettori; Marc Sallé; Franck Le Derf; María-Jesús Blesa; Magali Allain
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 9096 - 9103
• a: 11.3922 ± 0.0009 Å
• b: 7.8682 ± 0.0005 Å
• c: 48.276 ± 0.007 Å
• α: 90°
• β: 95.37 ± 0.01°
• γ: 90°
• Cell volume: 4308.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No