Information card for entry 4106841

Structure parameters

• Formula: C21 H25 N O
• Calculated formula: C21 H25 N O
• SMILES: [C@]123[C@@H](C(=C)CC[C@@H]1CCCC2)[C@H](c1c2ccccc2[nH]c1)OC3
• Title of publication: Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction
• Authors of publication: Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14944 - 14947
• a: 8.7244 ± 0.0017 Å
• b: 13.188 ± 0.003 Å
• c: 15.006 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.507
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No