Information card for entry 1571304

Structure parameters

• Formula: C11 H10 N O
• Calculated formula: C10 H12.6667 N0.666667 O1.33333
• Title of publication: Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.
• Authors of publication: Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 6397 - 6401
• a: 8.5784 ± 0.0007 Å
• b: 8.7025 ± 0.0004 Å
• c: 9.1689 ± 0.0005 Å
• α: 101.163 ± 0.004°
• β: 92.706 ± 0.006°
• γ: 105.082 ± 0.005°
• Cell volume: 644.96 ± 0.07 ų
• Cell temperature: 301.17 ± 0.1 K
• Ambient diffraction temperature: 301.17 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No