Information card for entry 7129915

Structure parameters

• Formula: C20 H25 Cl4 N O2
• Calculated formula: C20 H25 Cl4 N O2
• Title of publication: Recrystallization solvent-dependent elastic/plastic flexibility of an <i>n</i>-dodecyl-substituted tetrachlorophthalimide.
• Authors of publication: Kusumoto, Sotaro; Suzuki, Ryo; Tachibana, Masaru; Sekine, Yoshihiro; Kim, Yang; Hayami, Shinya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 35
• Pages of publication: 5411 - 5414
• a: 4.9756 ± 0.0002 Å
• b: 7.2308 ± 0.0002 Å
• c: 57.2041 ± 0.0019 Å
• α: 90°
• β: 92.384 ± 0.003°
• γ: 90°
• Cell volume: 2056.28 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No