Information card for entry 7226443

Structure parameters

• Chemical name: 1 PF6
• Formula: C29 H38 F6 P2
• Calculated formula: C29 H38 F6 P2
• Title of publication: Preparation of organic mechanochromic fluorophores with simple structures and promising mechanochromic luminescence properties
• Authors of publication: Li, Gaocan; Xu, Yangyang; Zhuang, Weihua; Wang, Yunbing
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.7112 ± 0.0006 Å
• b: 11.0294 ± 0.0006 Å
• c: 13.696 ± 0.0005 Å
• α: 107.945 ± 0.004°
• β: 96.334 ± 0.004°
• γ: 107.336 ± 0.005°
• Cell volume: 1432.52 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No