Information card for entry 7159133

Structure parameters

• Formula: C68 H96 O12
• Calculated formula: C68 H96 O12
• Title of publication: Synthesis of the ABC ring system of kadlongilactones.
• Authors of publication: Li, Liang; Li, Pengfei; Li, Tianhao; Zhang, Mingxiao; Liu, Wenjie; Li, Jing; Wang, Liang; Chen, Yue
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1704 - 1708
• a: 11.9019 ± 0.0002 Å
• b: 7.0079 ± 0.0001 Å
• c: 17.7102 ± 0.0003 Å
• α: 90°
• β: 102.749 ± 0.002°
• γ: 90°
• Cell volume: 1440.74 ± 0.04 ų
• Cell temperature: 102 ± 5 K
• Ambient diffraction temperature: 102 ± 5 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: 0.0873
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No