Information card for entry 7239937

Structure parameters

• Formula: C40 H26 N2
• Calculated formula: C40 H26 N2
• SMILES: n1(c2c(nc1c1ccc(cc1)c1ccc3c4ccccc4Cc3c1)c1ccccc1c1ccccc21)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: 9.9087 ± 0.0002 Å
• b: 12.9484 ± 0.0003 Å
• c: 22.1427 ± 0.0007 Å
• α: 90°
• β: 100.956 ± 0.003°
• γ: 90°
• Cell volume: 2789.17 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No