Information card for entry 1516048

Structure parameters

• Chemical name: Ethyl 4-(1-benzyl-1H-indol-3-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate
• Formula: C23 H23 N O3
• Calculated formula: C23 H23 N O3
• SMILES: O1CC(c2cn(c3c2cccc3)Cc2ccccc2)C(=C1C)C(=O)OCC
• Title of publication: Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis.
• Authors of publication: Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2830 - 2833
• a: 10.0605 ± 0.0005 Å
• b: 10.1253 ± 0.0007 Å
• c: 19.2983 ± 0.0011 Å
• α: 90°
• β: 91.597 ± 0.004°
• γ: 90°
• Cell volume: 1965.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No