Information card for entry 7064224

Structure parameters

• Formula: C21 H14 O4
• Calculated formula: C21 H14 O4
• 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: 9.4615 ± 0.0003 Å
• b: 7.4413 ± 0.0003 Å
• c: 22.9597 ± 0.0007 Å
• α: 90°
• β: 97.165 ± 0.003°
• γ: 90°
• Cell volume: 1603.87 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No