Information card for entry 4104550

Structure parameters

• Formula: C23 H24 N2 O3
• Calculated formula: C23 H24 N2 O3
• SMILES: c1c([C@]2(C(=O)[C@]3(c4ccccc4)CCN(C)C3=O)C(=O)N(CC2)C)cccc1
• Title of publication: Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation
• Authors of publication: Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8425 - 8433
• a: 6.8604 ± 0.0013 Å
• b: 6.8604 ± 0.0013 Å
• c: 40.242 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No