Information card for entry 7126127

Structure parameters

• Formula: C40 H30 Cl2 O2
• Calculated formula: C40 H30 Cl2 O2
• Title of publication: Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.
• Authors of publication: Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1863 - 1866
• a: 12.4619 ± 0.0003 Å
• b: 16.5737 ± 0.0004 Å
• c: 15.2124 ± 0.0003 Å
• α: 90°
• β: 103.676 ± 0.002°
• γ: 90°
• Cell volume: 3052.89 ± 0.12 ų
• Cell temperature: 299.9 ± 0.3 K
• Ambient diffraction temperature: 299.9 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No