Information card for entry 7122950

Structure parameters

• Formula: C53 H38 Cl2 N2
• Calculated formula: C53 H38 Cl2 N2
• Title of publication: A new strategy for achieving single-molecular white-light emission: using vibration-induced emission (VIE) plus aggregation-induced emission (AIE) mechanisms as a two-pronged approach.
• Authors of publication: Wang, Huan; Li, Yiru; Zhang, Yiyao; Mei, Ju; Su, Jianhua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 1879
• a: 9.4773 ± 0.0009 Å
• b: 13.6425 ± 0.0013 Å
• c: 17.4442 ± 0.0017 Å
• α: 69.381 ± 0.003°
• β: 75.821 ± 0.003°
• γ: 87.618 ± 0.003°
• Cell volume: 2044.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No