Information card for entry 7129096

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: OCC[C@@H]1[C@@H]2N(C(=O)CC1)CCc1c3c([nH]c21)cccc3.OCC[C@H]1[C@H]2N(C(=O)CC1)CCc1c2[nH]c2c1cccc2
• Title of publication: Stereoselective total synthesis of (±)-vindeburnol and (±)-16-<i>epi</i>-vindeburnol.
• Authors of publication: Chen, Xiangtao; Yu, Lei; Wang, Huijing; Zhang, Wen; Tang, Pei; Chen, Fener
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 88
• Pages of publication: 11669 - 11672
• a: 10.1352 ± 0.0003 Å
• b: 18.7726 ± 0.0005 Å
• c: 15.8738 ± 0.0005 Å
• α: 90°
• β: 103.95 ± 0.003°
• γ: 90°
• Cell volume: 2931.14 ± 0.15 ų
• Cell temperature: 297.1 ± 0.5 K
• Ambient diffraction temperature: 297.1 ± 0.5 K
• Number of distinct elements: 4
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No