Information card for entry 7217142

Structure parameters

• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• SMILES: N12CCN(CC1)CC2.Oc1ccc(cc1)c1ccc(O)cc1
• 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: 11.3698 ± 0.0018 Å
• b: 6.2439 ± 0.0009 Å
• c: 21.563 ± 0.003 Å
• α: 90°
• β: 96.206 ± 0.004°
• γ: 90°
• Cell volume: 1521.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No