Information card for entry 4106478

Structure parameters

• Formula: C19 H33.5 N O8 P2
• Calculated formula: C19 H33 N O8 P2
• SMILES: c1(ccccc1)[C@H]([C@@H](C(=O)OC)N)C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
• Title of publication: A Facile Cu(I)/TF-Bipham Phos-Catalyzed Asymmetric Approach to Unnatural α-Amino Acid Derivatives Containinggem-Bisphosphonates
• Authors of publication: Zhi-Yong Xue; Qing-Hua Li; Hai-Yan Tao; Chun-Jiang Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11757 - 11765
• a: 8.902 ± 0.002 Å
• b: 11.717 ± 0.003 Å
• c: 23.448 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2445.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0953
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No