Information card for entry 7121607

Structure parameters

• Formula: C18 H13 N
• Calculated formula: C18 H13 N
• Title of publication: Touch-sensitive mechanoluminescence crystals comprising a simple purely organic molecule emit bright blue fluorescence regardless of crystallization methods.
• Authors of publication: Zhang, Kai; Sun, Qikun; Zhang, Zhenzhen; Tang, Linagliang; Xie, Zongliang; Chi, Zhenguo; Xue, Shanfeng; Zhang, Haichang; Yang, Wenjun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 41
• Pages of publication: 5225 - 5228
• a: 12.7887 ± 0.0015 Å
• b: 38.195 ± 0.0019 Å
• c: 10.823 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5286.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No