Information card for entry 1546966

Structure parameters

• Formula: C44 H52 N4 O8
• Calculated formula: C44 H52 N4 O8
• SMILES: O(C)C(=O)[C@@]12c3[nH]c4c([C@@]5(O)C[C@@H]6[C@@]7([C@@H](N(C)[C@@H](OC7)[C@]76O[C@H]7C)Cc6c5[nH]c5c6cccc5)C(=O)OC)c(OC)ccc4c3CCN3[C@H]2[C@H](C[C@H](C1)C3)CC
• Title of publication: Tabercorymines A and B, Two Vobasinyl-Ibogan-Type Bisindole Alkaloids from Tabernaemontana corymbosa.
• Authors of publication: Yuan, Yu-Xi; Zhang, Yu; Guo, Ling-Li; Wang, Yue-Hu; Goto, Masuo; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Hao, Xiao-Jiang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4964 - 4967
• a: 9.2255 ± 0.0001 Å
• b: 13.8573 ± 0.0002 Å
• c: 15.8051 ± 0.0002 Å
• α: 90°
• β: 101.43°
• γ: 90°
• Cell volume: 1980.46 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No