Information card for entry 7156359

Structure parameters

• Formula: C23 H14 O2
• Calculated formula: C23 H14 O2
• Title of publication: Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.
• Authors of publication: Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 6077 - 6085
• a: 9.1068 ± 0.0005 Å
• b: 13.5461 ± 0.0009 Å
• c: 26.1677 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No