Information card for entry 8107257

Structure parameters

• Formula: C20 H22 F2 N2 O4
• Calculated formula: C20 H22 F2 N2 O4
• Title of publication: Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4
• Authors of publication: Zhao, Ji-Xing; Wang, Xiao-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 937 - 938
• a: 4.7005 ± 0.0002 Å
• b: 10.2279 ± 0.0003 Å
• c: 10.9917 ± 0.0003 Å
• α: 63.151 ± 0.001°
• β: 83.369 ± 0.002°
• γ: 83.014 ± 0.002°
• Cell volume: 466.88 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0397
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No