Information card for entry 7108425

Structure parameters

• Formula: C36 H24 N6 S4
• Calculated formula: C36 H24 N6 S4
• SMILES: c1(C)c(nc(s1)c1ccccn1)c1sc(nc1c1nc(sc1c1c(C)sc(c2ccccn2)n1)c1ccccc1)c1ccccc1
• Title of publication: 4,4'-Bithiazole-based tetraarylenes: new photochromes with unique photoreactive patterns
• Authors of publication: Gildas Gavrel; Pei Yu; Anne Leaustic; Regis Guillot; Remi Metivier; Keitaro Nakatani
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10111
• a: 19.321 ± 0.0017 Å
• b: 9.8395 ± 0.0008 Å
• c: 17.5549 ± 0.0016 Å
• α: 90°
• β: 107.09 ± 0.002°
• γ: 90°
• Cell volume: 3190 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1178
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No