Information card for entry 7130052

Structure parameters

• Formula: C19 H12 Cl2
• Calculated formula: C19 H12 Cl2
• SMILES: Clc1c2C(c3ccccc3)c3c(c2cc(Cl)c1)cccc3
• Title of publication: Rapid access to 9-arylfluorene and spirobifluorene through Pd-catalysed C–H arylation/deaminative annulation
• Authors of publication: Wu, Yu; Wu, Feng-Wei; Zhou, Kun; Li, Yiming; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.013 ± 0.0014 Å
• b: 6.5987 ± 0.0007 Å
• c: 36.445 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2889 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No