Information card for entry 1504721

Structure parameters

• Formula: C27 H31 Br N4 O3
• Calculated formula: C27 H31 Br N4 O3
• SMILES: Brc1ccc([C@H]2N3N(C[C@H]2C(=O)N2N(C(CC2=O)(C)C)Cc2ccccc2)C(=O)CC3(C)C)cc1
• Title of publication: Copper(II)-catalyzed exo and enantioselective cycloadditions of azomethine imines.
• Authors of publication: Sibi, Mukund P.; Rane, Digamber; Stanley, Levi M.; Soeta, Takahiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 2971 - 2974
• a: 10.2311 ± 0.0002 Å
• b: 17.311 ± 0.0004 Å
• c: 14.641 ± 0.0003 Å
• α: 90°
• β: 98.903 ± 0.001°
• γ: 90°
• Cell volume: 2561.83 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No