Information card for entry 4038251

Structure parameters

• Formula: C2 Br2 N2 O2
• Calculated formula: C2 Br2 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: 5.9208 ± 0.001 Å
• b: 7.7879 ± 0.0013 Å
• c: 12.68 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 584.68 ± 0.17 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.477
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No