Information card for entry 1518245

Structure parameters

• Common name: w234b
• Formula: C22 H26 N2 O4
• Calculated formula: C22 H26 N2 O4
• SMILES: C(=O)(C[C@@H]([C@@]1(C(=O)c2ccccc2C1)C(=O)OC(C)(C)C)C)c1n(ccn1)C.C(=O)(C[C@H]([C@]1(C(=O)c2ccccc2C1)C(=O)OC(C)(C)C)C)c1n(ccn1)C
• Title of publication: Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality
• Authors of publication: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1094
• a: 10.1905 ± 0.0005 Å
• b: 11.5731 ± 0.0006 Å
• c: 17.4203 ± 0.0008 Å
• α: 90°
• β: 97.5045 ± 0.0016°
• γ: 90°
• Cell volume: 2036.88 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No