Information card for entry 1504948

Structure parameters

• Formula: C32 H30 N2 O4
• Calculated formula: C32 H30 N2 O4
• SMILES: CCOC(=O)C1(N[C@H](N(c2cc(ccc2)C)[C@@H]1C#Cc1ccccc1)C#Cc1ccccc1)C(=O)OCC.CCOC(=O)C1(N[C@@H](N(c2cc(ccc2)C)[C@H]1C#Cc1ccccc1)C#Cc1ccccc1)C(=O)OCC
• Title of publication: Direct assembly of aldehydes, amino esters, and anilines into chiral imidazolidines via Brønsted acid catalyzed asymmetric 1,3-dipolar cycloadditions.
• Authors of publication: Liu, Wei-Jun; Chen, Xiao-Hua; Gong, Liu-Zhu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5357 - 5360
• a: 10.705 ± 0.0002 Å
• b: 11.038 ± 0.0003 Å
• c: 12.92 ± 0.0005 Å
• α: 91.653 ± 0.005°
• β: 96.063 ± 0.005°
• γ: 111.856 ± 0.005°
• Cell volume: 1405.14 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No