Information card for entry 1576259

Structure parameters

• Formula: C28 H26 O3
• Calculated formula: C28 H26 O3
• 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: 22.488 ± 0.003 Å
• b: 11.1001 ± 0.0012 Å
• c: 8.8428 ± 0.0013 Å
• α: 90°
• β: 99.154 ± 0.007°
• γ: 90°
• Cell volume: 2179.2 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No