Information card for entry 7052634

Structure parameters

• Formula: C43 H22 Cl2 F4 N4 O2 S6
• Calculated formula: C43 H22 Cl2 F4 N4 O2 S6
• Title of publication: A binaphthol-substituted tetrathiafulvalene with axial chirality and its enantiopure TCNQF4 charge-transfer salts
• Authors of publication: Saad, Ali; Jeannin, Olivier; Fourmigué, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 1004
• a: 8.5594 ± 0.0003 Å
• b: 13.0019 ± 0.0003 Å
• c: 18.8153 ± 0.0005 Å
• α: 106.556 ± 0.001°
• β: 90.875 ± 0.001°
• γ: 92.728 ± 0.001°
• Cell volume: 2003.93 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No