Information card for entry 4124946

Structure parameters

• Formula: C32 H34 N2 O4 S
• Calculated formula: C32 H34 N2 O4 S
• SMILES: S(=O)(=O)(N1[C@@H]2c3[nH]c4ccccc4c3[C@@]([C@@H](C2)/C(=C\C)C1)(CO)COCc1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@H]2c3[nH]c4ccccc4c3[C@]([C@H](C2)/C(=C\C)C1)(CO)COCc1ccccc1)c1ccc(cc1)C
• Title of publication: Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.
• Authors of publication: Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 12
• Pages of publication: 3982
• a: 9.9032 ± 0.0009 Å
• b: 16.5182 ± 0.0016 Å
• c: 17.4642 ± 0.0016 Å
• α: 90°
• β: 101.444 ± 0.002°
• γ: 90°
• Cell volume: 2800.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No