Information card for entry 7156764

Structure parameters

• Formula: C15 H14 O2 S2
• Calculated formula: C15 H14 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: 7.5548 ± 0.0005 Å
• b: 8.985 ± 0.0006 Å
• c: 11.3559 ± 0.0007 Å
• α: 75.451 ± 0.001°
• β: 79.463 ± 0.001°
• γ: 65.962 ± 0.001°
• Cell volume: 678.58 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No