Information card for entry 7121161

Structure parameters

• Formula: C26 H29 N3 O3 S
• Calculated formula: C26 H29 N3 O3 S
• SMILES: S(=O)(=O)(Nc1n(c2ccccc2c1N(c1ccc(cc1)C)CC(O)C)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: 12.1615 ± 0.0007 Å
• b: 11.8908 ± 0.0007 Å
• c: 16.8761 ± 0.0014 Å
• α: 90°
• β: 98.719 ± 0.007°
• γ: 90°
• Cell volume: 2412.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No