Information card for entry 7234182

Structure parameters

• Formula: C68 H92 N2 O4
• Calculated formula: C68 H92 N2 O4
• SMILES: CCCCCCCCCCCCCCCCn1c2ccccc2c2cc(ccc12)c1cc(c(cc1C(=O)OCC)c1cc2c(cc1)n(c1c2cccc1)CCCCCCCCCCCCCCCC)C(=O)OCC
• Title of publication: Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains
• Authors of publication: Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4086 - 4092
• a: 8.2621 ± 0.0017 Å
• b: 8.9309 ± 0.0018 Å
• c: 21.084 ± 0.004 Å
• α: 81.69 ± 0.03°
• β: 85.17 ± 0.03°
• γ: 82.15 ± 0.03°
• Cell volume: 1521.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No