Information card for entry 4106840

Structure parameters

• Formula: C20 H23 N O5
• Calculated formula: C20 H23 N O5
• SMILES: N(=O)(=O)c1ccc(cc1)CO[C@@H]1OC(=O)[C@@]23[C@H]1C(=C)CC[C@@H]3CCCC2.N(=O)(=O)c1ccc(cc1)CO[C@H]1OC(=O)[C@]23[C@@H]1C(=C)CC[C@H]3CCCC2
• 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: 17.3171 ± 0.001 Å
• b: 8.9956 ± 0.0007 Å
• c: 12.4459 ± 0.0008 Å
• α: 90°
• β: 110.09 ± 0.001°
• γ: 90°
• Cell volume: 1820.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No