Information card for entry 4021141

Structure parameters

• Formula: C10 H10 F3 N O7
• Calculated formula: C10 H10 F3 N O7
• SMILES: O(C(=O)[C@H]1C(=O)OC[C@@H]1[C@H](NC(=O)C(F)(F)F)C(=O)O)C.O(C(=O)[C@@H]1C(=O)OC[C@H]1[C@@H](NC(=O)C(F)(F)F)C(=O)O)C
• Title of publication: Allylic Alkylation versus Michael Induced Ring Closure: Chelated Enolates as Versatile Nucleophiles
• Authors of publication: Matthias Pohlman; Uli Kazmaier; Thomas Lindner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6909 - 6912
• a: 5.139 ± 0.001 Å
• b: 7.391 ± 0.001 Å
• c: 16.684 ± 0.003 Å
• α: 98.61 ± 0.03°
• β: 96.12 ± 0.03°
• γ: 94.06 ± 0.03°
• Cell volume: 620.55 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No