Information card for entry 1518244

Structure parameters

• Formula: C14 H18 N2 O5
• Calculated formula: C14 H18 N2 O5
• SMILES: C(=O)(C[C@@H](C)C1C(=O)OC(C)(C)OC1=O)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: 5.4571 ± 0.0002 Å
• b: 15.3289 ± 0.0006 Å
• c: 17.4084 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1456.24 ± 0.11 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: 0.0343
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No