Information card for entry 4102466

Structure parameters

• Formula: C48 H97 N2 O41.5
• Calculated formula: C48 H97 N2 O41.5
• Title of publication: Asymmetric Supramolecular Primary Amine Catalysis in Aqueous Buffer: Connections of Selective Recognition and Asymmetric Catalysis
• Authors of publication: Shenshen Hu; Jiuyuan Li; Junfeng Xiang; Jie Pan; Sanzhong Luo; Jin-Pei Cheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7216 - 7228
• a: 9.9461 ± 0.0019 Å
• b: 12.038 ± 0.002 Å
• c: 14.418 ± 0.003 Å
• α: 106.355 ± 0.003°
• β: 103.637 ± 0.003°
• γ: 91.494 ± 0.002°
• Cell volume: 1601.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No