Information card for entry 4033858

Structure parameters

• Formula: C33 H49 O4
• Calculated formula: C33 H49 O4
• Title of publication: Echingridimer A, an Oxaspiro Dimeric Sesquiterpenoid with a 6/6/5/6/6 Fused Ring System from <i>Echinops grijsii</i> and Aphicidal Activity Evaluation.
• Authors of publication: Liu, Tingting; Wu, Haibo; Jiang, Hongyun; Zhang, Lan; Zhang, Yanning; Mao, Liangang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10757 - 10763
• a: 8.0294 ± 0.0004 Å
• b: 12.7216 ± 0.0006 Å
• c: 16.3848 ± 0.001 Å
• α: 108.971 ± 0.005°
• β: 90.502 ± 0.004°
• γ: 107.466 ± 0.004°
• Cell volume: 1499.25 ± 0.15 ų
• Cell temperature: 106.6 K
• Ambient diffraction temperature: 106.6 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No