Information card for entry 7129098

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: OCC[C@@H]1[C@H]2N(C(=O)CC1)CCc1c2[nH]c2c1cccc2.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: 6.52889 ± 0.00015 Å
• b: 26.9565 ± 0.0006 Å
• c: 9.50589 ± 0.00019 Å
• α: 90°
• β: 104.117 ± 0.002°
• γ: 90°
• Cell volume: 1622.47 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No