Information card for entry 4108255

Structure parameters

• Formula: C30 H38 N2 O2
• Calculated formula: C30 H38 N2 O2
• SMILES: O=C(N1N2C[C@@H]3[C@@]1(CCCCOCc1ccccc1)C[C@@H]1C[C@H](C[C@H]2[C@@H]1C3)C)c1ccccc1
• Title of publication: Enantioselective Total Syntheses of Nankakurines A and B: Confirmation of Structure and Establishment of Absolute Configuration
• Authors of publication: Bradley L. Nilsson; Larry E. Overman; Javier Read de Alaniz; Jason M. Rohde
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11297 - 11299
• a: 9.9567 ± 0.0003 Å
• b: 15.2992 ± 0.0005 Å
• c: 16.3935 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497.21 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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 all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No