Information card for entry 7229290

Structure parameters

• Formula: C30 H19 F17 O2
• Calculated formula: C30 H19 F17 O2
• Title of publication: How side-chain substituents and substrates influence mechanochromic luminescence: case study with pyrene
• Authors of publication: Qian, Zongzheng; Deng, Weiting; Zhang, Xuepeng; Miao, Hui; Zhang, Guoqing
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 74
• Pages of publication: 46721
• a: 5.4184 ± 0.0003 Å
• b: 9.8683 ± 0.001 Å
• c: 54.655 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2922.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No