Information card for entry 4034524

Structure parameters

• Formula: C23 H21 Br4 I2 In N2 O3
• Calculated formula: C23 H21 Br4 I2 In N2 O3
• Title of publication: Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.
• Authors of publication: Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 13345 - 13363
• a: 19.2816 ± 0.0006 Å
• b: 14.7591 ± 0.0004 Å
• c: 20.9864 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5972.3 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.663
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No