Information card for entry 7064223

Structure parameters

• Formula: C21 H19 Cl O3
• Calculated formula: C21 H19 Cl O3
• Title of publication: Catalyst-controlled divergent synthesis of 2,8-dioxabicyclo[3.3.1]nonanes and benzo[c]chromen-6-ones
• Authors of publication: Zhang, Yichi; Wu, Qingling; Zhang, Qingxiao; Zhao, Yang; Wang, Qilin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 3580 - 3584
• a: 11.2354 ± 0.0005 Å
• b: 5.1466 ± 0.0002 Å
• c: 30.374 ± 0.0012 Å
• α: 90°
• β: 97.699 ± 0.004°
• γ: 90°
• Cell volume: 1740.52 ± 0.12 ų
• Cell temperature: 100.08 ± 0.14 K
• Ambient diffraction temperature: 100.08 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.3376
• Weighted residual factors for all reflections included in the refinement: 0.3428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.658
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No