Information card for entry 1502171

Structure parameters

• Formula: C38 H39 N O3
• Calculated formula: C38 H39 N O3
• SMILES: O([C@@H]1C[C@@H](CC[C@H]1C(c1ccccc1)(C)C)C)C(=O)C([C@@H](N=C=O)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Multicomponent Mannich reactions with boron enolates derived from diazo esters and 9-BBN.
• Authors of publication: Luan, Yi; Schaus, Scott E.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2510 - 2513
• a: 10.3359 ± 0.0006 Å
• b: 14.861 ± 0.001 Å
• c: 19.5709 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No