Information card for entry 1546313

Structure parameters

• Common name: Fiaud's acid
• Chemical name: (2R,5R)-1-hydroxy-2,5-diphenylphospholane 1-oxide
• Formula: C16 H17 O2 P
• Calculated formula: C16 H17 O2 P
• SMILES: P1(=O)(O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1
• Title of publication: Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.
• Authors of publication: Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3426 - 3429
• a: 22.549 ± 0.002 Å
• b: 5.7466 ± 0.0005 Å
• c: 11.4612 ± 0.0012 Å
• α: 90°
• β: 105.767 ± 0.006°
• γ: 90°
• Cell volume: 1429.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No