Information card for entry 4027547

Structure parameters

• Formula: C20 H39 F2 N O4 Si2
• Calculated formula: C20 H39 F2 N O4 Si2
• SMILES: [Si](O[C@H]1[C@]2(O)N(C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C)C[C@H](C2(F)F)C)(C(C)(C)C)(C)C
• Title of publication: Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines
• Authors of publication: Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8465 - 8479
• a: 8.6065 ± 0.0002 Å
• b: 14.1372 ± 0.0006 Å
• c: 21.6104 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2629.38 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No