Information card for entry 4038247

Structure parameters

• Formula: C64 H40 Cl8 N16 O16
• Calculated formula: C64 H40 Cl8 N16 O16
• 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: 12.5251 ± 0.0019 Å
• b: 7.7888 ± 0.0012 Å
• c: 16.98 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.5 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No