Information card for entry 7239938

Structure parameters

• Formula: C40 H26 N2
• Calculated formula: C40 H26 N2
• SMILES: n1(c2c3ccccc3c3ccccc3c2nc1c1ccc(cc1)c1ccc2c3ccccc3Cc2c1)c1ccccc1
• Title of publication: Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction
• Authors of publication: Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 56.364 ± 0.003 Å
• b: 15.9827 ± 0.0009 Å
• c: 6.1539 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5543.7 ± 0.5 ų
• Cell temperature: 293.52 ± 0.16 K
• Ambient diffraction temperature: 293.52 ± 0.16 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No