Information card for entry 7152637

Structure parameters

• Formula: C30 H43 N O11 P2
• Calculated formula: C30 H43 N O11 P2
• SMILES: P(=O)(OCC)(OCC)C(P(=O)(OCC)OCC)C[C@]1(c2c(N(C1=O)C(=O)OC(C)(C)C)cccc2)c1cccc(OC)c1.O
• Title of publication: Enantioselective Michael addition of 3-aryloxindoles to a vinyl bisphosphonate ester catalyzed by a cinchona alkaloid derived thiourea catalyst.
• Authors of publication: Zhao, Mei-Xin; Dai, Tong-Lei; Liu, Ran; Wei, Deng-Ke; Zhou, Hao; Ji, Fei-Hu; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 39
• Pages of publication: 7970 - 7979
• a: 8.8403 ± 0.0005 Å
• b: 11.1099 ± 0.0007 Å
• c: 35.459 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3482.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No