Information card for entry 1571174

Structure parameters

• Formula: C45 H26 O
• Calculated formula: C45 H26 O
• Title of publication: Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects.
• Authors of publication: Yang, Guang; Zhao, Wen-Xuan; Cao, Jing-Yi; Xue, Zeng-Min; Lin, Hong-Tao; Chen, Shu-Hai; Yamato, Takehiko; Redshaw, Carl; Wang, Chuan-Zeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 29
• Pages of publication: 3966 - 3969
• a: 8.7621 ± 0.0008 Å
• b: 10.6742 ± 0.0011 Å
• c: 16.727 ± 0.0018 Å
• α: 80.613 ± 0.003°
• β: 82.954 ± 0.003°
• γ: 70.163 ± 0.003°
• Cell volume: 1448.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No