Information card for entry 1573871

Structure parameters

• Formula: C30 H20 N2
• Calculated formula: C30 H20 N2
• SMILES: n1(c2ccccc2c2c1ccc(c1cc3c4c([nH]c3cc1)cccc4)c2)c1ccccc1
• Title of publication: Face-on oriented self-assembled molecules with enhanced π–π stacking for highly efficient inverted perovskite solar cells on rough FTO substrates
• Authors of publication: Du, Jiajun; Chen, Jinling; Ouyang, Beilin; Sun, Anxin; Tian, Congcong; Zhuang, Rongshan; Chen, Chen; Liu, Shuo; Chen, Qianwen; Li, Ziyi; Wu, Xiling; Cai, Jingyu; Zhao, Yuyang; Li, Ran; Xue, Teng; Cen, Tiantian; Zhao, Kaibo; Chen, Chun-Chao
• Journal of publication: Energy & Environmental Science
• Year of publication: 2025
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 3196 - 3210
• a: 27.885 ± 0.0004 Å
• b: 5.6072 ± 0.0001 Å
• c: 27.8067 ± 0.0004 Å
• α: 90°
• β: 111.567 ± 0.001°
• γ: 90°
• Cell volume: 4043.37 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No