Information card for entry 4115189

Structure parameters

• Formula: C18 H25 N O2
• Calculated formula: C18 H25 N O2
• SMILES: O(c1cc2NC(=O)C[C@@]3(c2c(c1)[C@](CC3)(C(C)C)C)C)C.O(c1cc2NC(=O)C[C@]3(c2c(c1)[C@@](CC3)(C(C)C)C)C)C
• Title of publication: C-C Bond Formation via C-H Bond Activation: Synthesis of the Core of Teleocidin B4
• Authors of publication: Brian D. Dangel; Kamil Godula; So Won Youn; Bengü Sezen; Dalibor Sames
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 11856 - 11857
• a: 13.6548 ± 0.001 Å
• b: 8.8146 ± 0.0007 Å
• c: 13.7395 ± 0.0011 Å
• α: 90°
• β: 99.57 ± 0.001°
• γ: 90°
• Cell volume: 1630.7 ± 0.2 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 4
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No