Information card for entry 7156765

Structure parameters

• Formula: C19 H14 N2 O3
• Calculated formula: C19 H14 N2 O3
• 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: 16.7044 ± 0.0015 Å
• b: 4.7039 ± 0.0004 Å
• c: 18.5969 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1461.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No