Information card for entry 1571261

Structure parameters

• Formula: C33 H31 N3 O
• Calculated formula: C33 H31 N3 O
• Title of publication: Copper-catalyzed atroposelective synthesis of C-O axially chiral compounds enabled by chiral 1,8-naphthyridine based ligands.
• Authors of publication: Dai, Lei; Zhou, Xueting; Guo, Jiami; Huang, Qingqin; Lu, Yixin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 5993 - 6001
• a: 7.8263 ± 0.0004 Å
• b: 11.618 ± 0.0006 Å
• c: 28.9031 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2628 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No