Information card for entry 1554677

Structure parameters

• Chemical name: (R,S)-ImNT
• Formula: C30 H22 N2 O2 S
• Calculated formula: C30 H22 N2 O2 S
• SMILES: S1c2c(N(c3c1cccc3)c1cc3c(C(=O)N(C3=O)C3c4c(CCC3)cccc4)cc1)cccc2
• Title of publication: Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence
• Authors of publication: Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1800
• a: 14.4773 ± 0.0002 Å
• b: 12.17882 ± 0.00016 Å
• c: 13.40691 ± 0.00018 Å
• α: 90°
• β: 104.925 ± 0.0014°
• γ: 90°
• Cell volume: 2284.11 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No