Information card for entry 8102164

Structure parameters

• Chemical name: 2,2'-[(1,4-butylene)dioxybis(nitrilomethylidyne)]diphenol
• Formula: C18 H20 N2 O4
• Calculated formula: C18 H20 N2 O4
• Title of publication: Crystal structure of 2,2'-((1,4-butylene)dioxybis(nitrilomethylidyne)) diphenol, C~18~H~20~N~2~O~4~
• Authors of publication: Dong, Wen-Kui; Duan, Jin-Gui; Dong, Chen-Ming; Ren, Zong-Li; Shi, Jun-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 327 - 328
• a: 8.633 ± 0.0014 Å
• b: 5.885 ± 0.0012 Å
• c: 16.492 ± 0.002 Å
• α: 90°
• β: 96.2 ± 0.002°
• γ: 90°
• Cell volume: 833 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No