Information card for entry 7240269

Structure parameters

• Formula: C22 H14 Cl F N2 O2
• Calculated formula: C22 H14 Cl F N2 O2
• SMILES: Clc1ccc([C@@H]2[C@]3(N(C2=O)c2cc(F)ccc2)C(=O)Nc2ccccc32)cc1.Clc1ccc([C@H]2[C@@]3(N(C2=O)c2cccc(F)c2)C(=O)Nc2ccccc32)cc1
• Title of publication: Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes
• Authors of publication: Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 14122 - 14133
• a: 11.6632 ± 0.0002 Å
• b: 11.6632 ± 0.0002 Å
• c: 27.4472 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3733.65 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No