Information card for entry 4038253

Structure parameters

• Formula: C10 H6 Cl2 N2 O2
• Calculated formula: C10 H6 Cl2 N2 O2
• Title of publication: Synthesis and Synthetic Application of Chloro- and Bromofuroxans.
• Authors of publication: Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 9
• Pages of publication: 5959 - 5972
• a: 5.5643 ± 0.0019 Å
• b: 9.865 ± 0.004 Å
• c: 10.798 ± 0.004 Å
• α: 112.164 ± 0.005°
• β: 95.909 ± 0.006°
• γ: 103.111 ± 0.005°
• Cell volume: 522.8 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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 significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No