Information card for entry 1554935

Structure parameters

• Formula: C23 H17 Cl O2
• Calculated formula: C23 H17 Cl O2
• Title of publication: Phase transfer reagent promoted tandem ring-opening and ring-closing reactions of unique 3-(1-alkynyl) chromones.
• Authors of publication: Liu, Yang; Jin, Shiyu; Huang, Liping; Hu, Youhong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2134 - 2137
• a: 9.353 ± 0.004 Å
• b: 7.448 ± 0.003 Å
• c: 12.251 ± 0.005 Å
• α: 90°
• β: 93.725 ± 0.008°
• γ: 90°
• Cell volume: 851.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No