Information card for entry 7121160

Structure parameters

• Formula: C27 H29 N3 O3 S
• Calculated formula: C27 H29 N3 O3 S
• SMILES: S(=O)(=O)(/N=C1/N(c2ccccc2[C@]21O[C@@H]([C@@H](N2c1ccc(cc1)C)C)C)C)c1ccc(cc1)C.S(=O)(=O)(/N=C1/N(c2ccccc2[C@@]21O[C@H]([C@H](N2c1ccc(cc1)C)C)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: 11.0863 ± 0.001 Å
• b: 11.6603 ± 0.001 Å
• c: 11.8746 ± 0.001 Å
• α: 109.645 ± 0.008°
• β: 100.679 ± 0.007°
• γ: 113.71 ± 0.008°
• Cell volume: 1228.8 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No