Information card for entry 4038249

Structure parameters

• Common name: furoxan
• Formula: C10 H5 Cl N2 O2
• Calculated formula: C10 H5 Cl 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: 6.667 ± 0.0013 Å
• b: 6.7899 ± 0.0014 Å
• c: 11.05 ± 0.002 Å
• α: 81.39 ± 0.03°
• β: 86.15 ± 0.03°
• γ: 75.78 ± 0.03°
• Cell volume: 479.18 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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 all reflections: 0.2031
• Residual factor for significantly intense reflections: 0.1618
• Weighted residual factors for significantly intense reflections: 0.3953
• Weighted residual factors for all reflections included in the refinement: 0.4356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No