Information card for entry 7061392

Structure parameters

• Formula: C60 H58 N2 O8 S2
• Calculated formula: C60 H58 N2 O8 S2
• Title of publication: Development of a new type of multi-functional mechanochromic luminescence material by infusing a phenyl rotator into the structure of 3,4-diphenylmaleic anhydride
• Authors of publication: Wang, Zexin; Chen, Liwei; Lin, Xiang; Liu, Wei; Han, Jun; Chen, Nannan; Jiang, Hong; Sun, Shitao; Li, Zhenli; Hao, Jinle; Lin, Bin; Li, Renfu; Chen, Xueyuan; Zhai, Xin; Xie, Lijun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 6765 - 6774
• a: 13.4521 ± 0.0016 Å
• b: 14.1057 ± 0.0017 Å
• c: 14.1605 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 92.405 ± 0.004°
• Cell volume: 2684.6 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.03 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3417
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No