Information card for entry 1567606

Structure parameters

• Common name: Ethidium heptafluorobutyrate
• Chemical name: 3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate
• Formula: C25 H20 F7 N3 O2
• Calculated formula: C25 H20 F7 N3 O2
• Title of publication: Ethidium heptafluorobutyrate
• Authors of publication: Shimazaki, Runa; Sadakiyo, Masaaki
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 9
• Pages of publication: x220884
• a: 12.1592 ± 0.0008 Å
• b: 18.926 ± 0.0014 Å
• c: 20.3097 ± 0.0017 Å
• α: 90°
• β: 91.474 ± 0.003°
• γ: 90°
• Cell volume: 4672.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes