Information card for entry 7235675

Structure parameters

• Formula: C22 H15 N3
• Calculated formula: C22 H15 N3
• Title of publication: Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification
• Authors of publication: Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 47
• Pages of publication: 24649
• a: 7.036 ± 0.005 Å
• b: 15.938 ± 0.011 Å
• c: 16.115 ± 0.011 Å
• α: 90°
• β: 95.219 ± 0.008°
• γ: 90°
• Cell volume: 1800 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No