Information card for entry 1555436

Structure parameters

• Formula: C24 H24 N4 O3
• Calculated formula: C24 H24 N4 O3
• Title of publication: One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.
• Authors of publication: Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 5816 - 5819
• a: 37.9789 ± 0.001 Å
• b: 14.5891 ± 0.0004 Å
• c: 21.4715 ± 0.0006 Å
• α: 90°
• β: 119.848 ± 0.0007°
• γ: 90°
• Cell volume: 10318.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No