Information card for entry 1506113

Structure parameters

• Formula: C19 H25 N O3
• Calculated formula: C19 H25 N O3
• SMILES: O(C(=O)N1c2c(cc(c3c2[C@@H](C[C@@H]3C)C)C=O)CC1)C(C)(C)C.O(C(=O)N1c2c(cc(c3c2[C@H](C[C@H]3C)C)C=O)CC1)C(C)(C)C
• Title of publication: Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines.
• Authors of publication: Huntley, Raymond J.; Funk, Raymond L.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3403 - 3406
• a: 9.881 ± 0.003 Å
• b: 8.283 ± 0.003 Å
• c: 20.714 ± 0.007 Å
• α: 90°
• β: 97.71 ± 0.006°
• γ: 90°
• Cell volume: 1680 ± 1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No