Information card for entry 7121159

Structure parameters

• Formula: C26 H27 N3 O4 S
• Calculated formula: C26 H27 N3 O4 S
• SMILES: S(=O)(=O)(/N=C/1N(c2ccccc2[C@]21O[C@H](CN2c1ccc(cc1)C)CO)C)c1ccc(cc1)C
• Title of publication: A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.
• Authors of publication: Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1529 - 1532
• a: 8.6243 ± 0.0006 Å
• b: 10.5297 ± 0.0007 Å
• c: 25.811 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2343.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No