Information card for entry 4027053

Structure parameters

• Formula: C131 H94 Cl6 N16 S32
• Calculated formula: C131 H94 Cl6 N16 S32
• Title of publication: Dual Signaling System with an Extended-Tetrathiafulvalene-Phenanthroline Dyad Acting as an Electrooptical Cation Chemosensor
• Authors of publication: Marie Hardouin-Lerouge; Bertrand Chesneau; Magali Allain; Piétrick Hudhomme
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2441 - 2445
• a: 12.564 ± 0.002 Å
• b: 15.406 ± 0.004 Å
• c: 19.363 ± 0.003 Å
• α: 89.76 ± 0.02°
• β: 80.24 ± 0.01°
• γ: 79.32 ± 0.02°
• Cell volume: 3628.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No