Information card for entry 2242653

Structure parameters

• Chemical name: 1,2-Bis(2',6'-diisopropoxy-[2,3'-bipyridin]-6-yl)benzene
• Formula: C38 H42 N4 O4
• Calculated formula: C38 H42 N4 O4
• Title of publication: Crystal structure and Hirshfeld surface analysis of 1,2-bis(2',6'-diisopropoxy-[2,3'-bipyridin]-6-yl)benzene
• Authors of publication: Park, Ki-Min; Moon, Suk-Hee; Kang, Youngjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1475 - 1479
• a: 9.4897 ± 0.0002 Å
• b: 17.2533 ± 0.0004 Å
• c: 21.0921 ± 0.0005 Å
• α: 90°
• β: 90.4825 ± 0.0013°
• γ: 90°
• Cell volume: 3453.26 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes