Information card for entry 8102042

Structure parameters

• Chemical name: 4,4'-dibromo-2,2'-[(1,3-propylidene)dioxybis(nitrilomethylidyne)]diphenol
• Formula: C17 H16 Br2 N2 O4
• Calculated formula: C17 H16 Br2 N2 O4
• Title of publication: Crystal structure of 4,4'-dibromo-2,2'-((1,3-propylene)-dioxybis (nitrilomethylidyne))diphenol, C~16~H~16~Br~2~N~2~O~4~
• Authors of publication: Dong, W.-K.; Feng, J.-H.; Yang, X.-Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 447 - 448
• a: 6.2054 ± 0.0008 Å
• b: 28.788 ± 0.004 Å
• c: 5.0063 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 894.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No