Information card for entry 7237895

Structure parameters

• Formula: C36 H23 N3 O
• Calculated formula: C36 H23 N3 O
• Title of publication: Mechanochromic luminescence and color-tunable light-emitting devices of triphenylamine functionalized benzo[d,e]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one
• Authors of publication: Huang, Bin; Jiang, Dawei; Feng, Yan; Chen, Wen-Cheng; Zhang, Ying; Cao, Chen; Shen, Dong; Ji, Yigang; Wang, Chen; Lee, Chun-Sing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 32
• Pages of publication: 9808
• a: 8.6951 ± 0.0004 Å
• b: 7.597 ± 0.0003 Å
• c: 38.1721 ± 0.0018 Å
• α: 90°
• β: 90.378 ± 0.004°
• γ: 90°
• Cell volume: 2521.47 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No