Information card for entry 7108426

Structure parameters

• Formula: C37 H25 N5 O S3
• Calculated formula: C37 H25 N5 O S3
• SMILES: c1cccc(c2nc(c(C)s2)c2c(c3c(c4c(C)oc(c5ccccc5)n4)sc(c4ccccc4)n3)nc(c3ccccc3)s2)n1
• 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: 9.7383 ± 0.0015 Å
• b: 11.8198 ± 0.0017 Å
• c: 15.4915 ± 0.0019 Å
• α: 93.571 ± 0.003°
• β: 106.219 ± 0.003°
• γ: 112.544 ± 0.003°
• Cell volume: 1552.2 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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 all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No