Information card for entry 4507426

Structure parameters

• Common name: Compound 1c
• Chemical name: (2R,4S,5R)-2-tert-Butyl-3-(furan-2-carbonyl)-5- methyloxazolidine-4-carboxylic acid
• Formula: C14 H19 N O5
• Calculated formula: C14 H19 N O5
• SMILES: o1c(ccc1)C(=O)N1[C@@H](O[C@H]([C@@H]1C(=O)O)C)C(C)(C)C
• Title of publication: Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.
• Authors of publication: Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.
• Journal of publication: ACS Combinatorial Science
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 73
• a: 7.1189 ± 0.0001 Å
• b: 7.5252 ± 0.0001 Å
• c: 8.242 ± 0.0001 Å
• α: 104.816 ± 0.001°
• β: 115.534 ± 0.001°
• γ: 96.832 ± 0.001°
• Cell volume: 371.632 ± 0.01 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No