Information card for entry 4027549

Structure parameters

• Formula: C22 H23 F2 N O4
• Calculated formula: C22 H23 F2 N O4
• SMILES: FC1([C@@]2(N(C(=O)[C@@H]([C@H]2OCc2ccccc2)OCc2ccccc2)C[C@@H]1C)O)F
• 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: 6.1397 ± 0.0001 Å
• b: 10.0767 ± 0.0003 Å
• c: 31.8096 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1967.99 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No