Information card for entry 1555635

Structure parameters

• Formula: C20 H26 N2 O2
• Calculated formula: C20 H26 N2 O2
• SMILES: O(C(=O)[C@@]1(CCCN2[C@@H](c3[nH]c4c(c3CC2)cccc4)C1)CC)C
• Title of publication: Asymmetric Total Synthesis of Kopsiyunnanine K, a Monoterpenoid Indole Alkaloid with a Rearranged Skeleton.
• Authors of publication: Tokuda, Ryoko; Okamoto, Yoshiki; Koyama, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3490 - 3493
• a: 9.01057 ± 0.00016 Å
• b: 10.9727 ± 0.0002 Å
• c: 17.5326 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1733.45 ± 0.06 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No