Information card for entry 7245804

Structure parameters

• Formula: C29 H28 N2 O6
• Calculated formula: C29 H28 N2 O6
• SMILES: O(c1ccc(cc1)[C@H]1N([C@@]2(C(CC1)(C(=O)OC)C(=O)OC)C(=O)Nc1c2cccc1)c1ccccc1)C.O(c1ccc(cc1)[C@@H]1N([C@]2(C(CC1)(C(=O)OC)C(=O)OC)C(=O)Nc1c2cccc1)c1ccccc1)C
• Title of publication: Lewis acid-catalyzed [4 + 2] cycloaddition of donor–acceptor cyclobutanes with iminooxindoles: access to spiro[piperidine-3,2′-oxindoles]
• Authors of publication: Chen, Zuliang; Yan, Keyi; Luo, Hui; Yan, Jun; Zeng, Yang
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 49
• Pages of publication: 32097 - 32101
• a: 9.3636 ± 0.0004 Å
• b: 11.4375 ± 0.0005 Å
• c: 13.7029 ± 0.0006 Å
• α: 108.892 ± 0.004°
• β: 90.756 ± 0.004°
• γ: 111.651 ± 0.004°
• Cell volume: 1275.75 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No