Information card for entry 7236778

Structure parameters

• Common name: TDPP
• Chemical name: 1,4-diketo-2,5-di(tetradecyl)-3,6-bis-(4-chlorophenyl)pyrrolo[3,4-c]pyrrole
• Formula: C46 H66 Cl2 N2 O2
• Calculated formula: C46 H66 Cl2 N2 O2
• Title of publication: Unusual mechanohypsochromic luminescence and unique bidirectional thermofluorochromism of long-alkylated simple DPP dyes
• Authors of publication: Ying, Shian; Chen, Mingshuai; Liu, Zhongwei; Zheng, Meng; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 5994
• a: 21.085 ± 0.004 Å
• b: 4.8864 ± 0.0008 Å
• c: 21.502 ± 0.004 Å
• α: 90°
• β: 113.73 ± 0.02°
• γ: 90°
• Cell volume: 2028 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.061
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No