Information card for entry 8101887

Structure parameters

• Chemical name: 2-[3,5-bis(4-octyloxyphenyl)pyrazol-1-yl]pyridine
• Formula: C36 H47 N3 O2
• Calculated formula: C36 H47 N3 O2
• Title of publication: Crystal structure of 2-[3,5-bis(4-octyloxyphenyl)pyrazol-1-yl]pyridine, C~36~H~47~N~3~O~2~
• Authors of publication: Torralba, M. C.; Cano, M.; Campo, J. A.; Heras, J. V.; Pinilla, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 617 - 619
• a: 10.7514 ± 0.0014 Å
• b: 7.9539 ± 0.001 Å
• c: 38.144 ± 0.005 Å
• α: 90°
• β: 92.326 ± 0.003°
• γ: 90°
• Cell volume: 3259.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1839
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No