Information card for entry 7157112

Structure parameters

• Formula: C35 H36 F2 N4 O4 S
• Calculated formula: C35 H36 F2 N4 O4 S
• Title of publication: Preparation of spiro[imidazolidine-4,3'-indolin]-2'-imines via copper(i)-catalyzed formal [2 + 2 + 1] cycloaddition of 3-diazoindolin-2-imines and triazines.
• Authors of publication: Zhou, Yuxuan; Ma, Fanghui; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 39
• Pages of publication: 8849 - 8852
• a: 11.896 ± 0.0007 Å
• b: 10.6048 ± 0.0005 Å
• c: 13.5243 ± 0.0008 Å
• α: 90°
• β: 109.984 ± 0.006°
• γ: 90°
• Cell volume: 1603.42 ± 0.17 ų
• Cell temperature: 125.3 K
• Ambient diffraction temperature: 125.3 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No