Information card for entry 1576266

Structure parameters

• Common name: 2dbts-[1,1][2]PCP
• Formula: C30 H24 O4
• Calculated formula: C30 H24 O4
• Title of publication: Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties
• Authors of publication: Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 15.7797 ± 0.0004 Å
• b: 11.4128 ± 0.0003 Å
• c: 12.1013 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2179.33 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.099
• 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