Information card for entry 7156763

Structure parameters

• Formula: C12 H10 O2 S2
• Calculated formula: C12 H10 O2 S2
• Title of publication: Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
• Authors of publication: Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 4990 - 5000
• a: 7.4647 ± 0.0005 Å
• b: 10.1476 ± 0.0006 Å
• c: 14.7974 ± 0.0009 Å
• α: 90°
• β: 97.68 ± 0.001°
• γ: 90°
• Cell volume: 1110.83 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No