Information card for entry 7236478

Structure parameters

• Formula: C35 H73 Cl2 N7 O18
• Calculated formula: C36 H71 Cl2 N2 O22
• Title of publication: A supra-molecular switchable dielectric material with non-linear optical properties
• Authors of publication: Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 2865
• a: 31.3826 ± 0.0003 Å
• b: 14.5065 ± 0.0001 Å
• c: 10.7933 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4913.67 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No