Information card for entry 1554654

Structure parameters

• Chemical name: d-DPE
• Formula: C20 H24
• Calculated formula: C20 H24
• SMILES: c1(c(cc(c(c1)C)C)C)/C=C/c1c(cc(c(c1)C)C)C
• Title of publication: Drawing a clear mechanistic picture for the aggregation-induced emission process
• Authors of publication: Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1143
• a: 4.7535 ± 0.0005 Å
• b: 6.1267 ± 0.0013 Å
• c: 13.209 ± 0.002 Å
• α: 96.215 ± 0.015°
• β: 96.738 ± 0.011°
• γ: 91.369 ± 0.013°
• Cell volume: 379.53 ± 0.11 ų
• Cell temperature: 100.01 ± 0.01 K
• Ambient diffraction temperature: 100.01 ± 0.01 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No