Information card for entry 7153592

Structure parameters

• Formula: C78 H80 Cl4 F12 N4 O4 S4 Zn
• Calculated formula: C78 H80 Cl4 F12 N4 O4 S4 Zn
• Title of publication: New fluorescent bis-dithienylethene (DTE)-based bipyridines as reverse interrupters: single vs. double photochromism.
• Authors of publication: Ordronneau, Lucie; Boixel, Julien; Aubert, Vincent; Vidal, Matias S.; Moya, Sergio; Aguirre, Pedro; Toupet, Loic; Williams, J. A. Gareth; Le Bozec, Hubert; Guerchais, Véronique
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 979 - 992
• a: 34.635 ± 0.002 Å
• b: 8.5799 ± 0.0004 Å
• c: 27.476 ± 0.001 Å
• α: 90°
• β: 92.652 ± 0.004°
• γ: 90°
• Cell volume: 8156.2 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.2208
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.669
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No