Information card for entry 7156175

Structure parameters

• Formula: C24 H21 Cl O7 S
• Calculated formula: C24 H21 Cl O7 S
• Title of publication: Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.
• Authors of publication: Ma, Shanshan; Yu, Aimin; Meng, Xiangtai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 2885 - 2892
• a: 10.8783 ± 0.0012 Å
• b: 11.1724 ± 0.0013 Å
• c: 11.9506 ± 0.0014 Å
• α: 103.441 ± 0.01°
• β: 110.162 ± 0.011°
• γ: 103.53 ± 0.01°
• Cell volume: 1245.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No