Information card for entry 1505735

Structure parameters

• Formula: C34 H24 N2 O4 S6
• Calculated formula: C34 H24 N2 O4 S6
• SMILES: C1COc2c(O1)c1sc2c2sc(c3c2OCCO3)c2sccc2SCc2ccc(/N=N/c3ccc(CSc4c1scc4)cc3)cc2
• Title of publication: Structural control of the electronic properties of photodynamic azobenzene-derivatized pi-conjugated oligothiophenes.
• Authors of publication: Jousselme, Bruno; Blanchard, Philippe; Allain, Magali; Levillain, Eric; Dias, Marylène; Roncali, Jean
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 10
• Pages of publication: 3488 - 3494
• a: 33.46 ± 0.01 Å
• b: 8.032 ± 0.002 Å
• c: 48.84 ± 0.01 Å
• α: 90°
• β: 103.43 ± 0.03°
• γ: 90°
• Cell volume: 12767 ± 6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.285
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for all reflections: 0.477
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections: 3.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No