Information card for entry 7122582

Structure parameters

• Formula: C10 H8 I2 N2 O2
• Calculated formula: C10 H8 I2 N2 O2
• Title of publication: Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.
• Authors of publication: Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 96
• Pages of publication: 13571 - 13574
• a: 16.6999 ± 0.001 Å
• b: 4.4334 ± 0.0002 Å
• c: 17.237 ± 0.0009 Å
• α: 90°
• β: 101.316 ± 0.002°
• γ: 90°
• Cell volume: 1251.37 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No