Information card for entry 7239939

Structure parameters

• Formula: C53 H35 Cl2 N2
• Calculated formula: C53 H35 Cl2 N2
• 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: 11.8562 ± 0.0008 Å
• b: 13.4286 ± 0.0009 Å
• c: 13.4659 ± 0.0005 Å
• α: 77.628 ± 0.004°
• β: 86.612 ± 0.004°
• γ: 68.539 ± 0.006°
• Cell volume: 1948.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1832
• Residual factor for significantly intense reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.2946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No