Information card for entry 7220849

Structure parameters

• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• Title of publication: Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.
• Authors of publication: Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 19465 - 19473
• a: 18.225 ± 0.009 Å
• b: 18.225 ± 0.009 Å
• c: 9.896 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3287 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.338
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No