Information card for entry 7231900

Structure parameters

• Formula: C17 H14 Br N O
• Calculated formula: C17 H14 Br N O
• Title of publication: Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex
• Authors of publication: Tone, Masaya; Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Shibatomi, Kazutaka; Iwasa, Seiji
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 70
• Pages of publication: 39865
• a: 6.0888 ± 0.0008 Å
• b: 12.5645 ± 0.0017 Å
• c: 17.867 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1366.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0228
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No