Information card for entry 1503295

Structure parameters

• Formula: C30 H46 N2 O2 S
• Calculated formula: C30 H46 N2 O2 S
• SMILES: S(=O)(=O)(N/N=C1\CC[C@@H]([C@]([C@@H]1CC=C(C)C)(CCC=C(C)C)C)CC=C(C)C)c1ccc(C)cc1.S(=O)(=O)(N/N=C1\CC[C@H]([C@@]([C@H]1CC=C(C)C)(CCC=C(C)C)C)CC=C(C)C)c1ccc(C)cc1
• Title of publication: Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.
• Authors of publication: Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 5234 - 5237
• a: 9.5949 ± 0.0002 Å
• b: 12.2464 ± 0.0002 Å
• c: 13.8441 ± 0.0003 Å
• α: 112.003 ± 0.001°
• β: 98.392 ± 0.001°
• γ: 95.769 ± 0.001°
• Cell volume: 1470.58 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No