Information card for entry 4037289

Structure parameters

• Formula: C27 H14 Br6 Cl2 N2 O4 S2
• Calculated formula: C27 H14 Br6 Cl2 N2 O4 S2
• Title of publication: Conjugated Thiophene-Fused Isatin Dyes through Intramolecular Direct Arylation.
• Authors of publication: Nitti, Andrea; Signorile, Marco; Boiocchi, Massimo; Bianchi, Gabriele; Po, Riccardo; Pasini, Dario
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 22
• Pages of publication: 11035 - 11042
• a: 8.205 ± 0.002 Å
• b: 14.884 ± 0.004 Å
• c: 14.978 ± 0.004 Å
• α: 62.98 ± 0.02°
• β: 86.64 ± 0.03°
• γ: 86.32 ± 0.03°
• Cell volume: 1625.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No