Information card for entry 7116258

Structure parameters

• Common name: Dipropylammonium perchlorate 18-crown-6
• Formula: C18 H40 Cl N O10
• Calculated formula: C18 H40 Cl N O10
• Title of publication: A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.
• Authors of publication: Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2298 - 2300
• a: 16.5769 ± 0.0004 Å
• b: 15.1415 ± 0.0003 Å
• c: 10.0908 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2532.78 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No