Information card for entry 7130172

Structure parameters

• Formula: C21 H16 O6
• Calculated formula: C21 H16 O6
• Title of publication: Total synthesis of linoxepin facilitated by Ni-catalyzed tandem reductive cyclization
• Authors of publication: Cao, Jing-Si; Zeng, Jing; Xiao, Jian; Wang, Xiao-Han; Wang, Yawen; Peng, Yu
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.52 ± 0.17 Å
• b: 8.28 ± 0.02 Å
• c: 17.87 ± 0.11 Å
• α: 90°
• β: 106.8 ± 0.8°
• γ: 90°
• Cell volume: 1632 ± 3 ų
• Cell temperature: 293.02 ± 0.1 K
• Ambient diffraction temperature: 293.02 ± 0.1 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: 0.1794
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No