Information card for entry 4027551

Structure parameters

• Formula: C23 H25 F2 N O4
• Calculated formula: C23 H25 F2 N O4
• SMILES: FC1(F)[C@@]2(O)N(C(=O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CC[C@H]1C
• 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: 11.898 ± 0.002 Å
• b: 8.131 ± 0.0006 Å
• c: 12.412 ± 0.002 Å
• α: 90°
• β: 114.293 ± 0.004°
• γ: 90°
• Cell volume: 1094.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No