Information card for entry 7230904

Structure parameters

• Formula: C19 H16 O2
• Calculated formula: C19 H16 O2
• Title of publication: p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C‒O scission strategy
• Authors of publication: Senadi, Gopal Chandru; Wang, Jeh-Jeng
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 3420
• a: 6.3828 ± 0.0008 Å
• b: 10.3101 ± 0.0016 Å
• c: 11.896 ± 0.002 Å
• α: 104.198 ± 0.014°
• β: 100.779 ± 0.012°
• γ: 97.652 ± 0.012°
• Cell volume: 732.2 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No