Information card for entry 7240267

Structure parameters

• Formula: C26 H25 Cl N2 O4
• Calculated formula: C26 H25 Cl N2 O4
• SMILES: Clc1ccc([C@@H]2[C@@]3(N(C2=O)c2ccc(O)cc2)C(=O)Nc2ccccc32)cc1.O(CC)CC.Clc1ccc([C@H]2[C@]3(N(C2=O)c2ccc(O)cc2)C(=O)Nc2ccccc32)cc1.O(CC)CC
• 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: 9.8999 ± 0.0003 Å
• b: 15.9931 ± 0.0004 Å
• c: 15.6852 ± 0.0005 Å
• α: 90°
• β: 104.928 ± 0.003°
• γ: 90°
• Cell volume: 2399.62 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No