Information card for entry 7217144

Structure parameters

• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• Title of publication: Two-step dielectric anomalies coupled with structural phase transitions in co-crystal of 1,4-diazabicyclo[2.2.2]octane and 4, 4'-biphenol
• Authors of publication: Ren, XiaoMing; Zhai, Lu; Ning, Wei-Hua
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 12.1356 ± 0.0018 Å
• b: 6.34 ± 0.0011 Å
• c: 21.054 ± 0.003 Å
• α: 90°
• β: 98.846 ± 0.005°
• γ: 90°
• Cell volume: 1600.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No