Information card for entry 7105983

Structure parameters

• Formula: C37 H31 N
• Calculated formula: C37 H31 N
• SMILES: n1(c2ccccc2c2c1ccc(C13c4c(cccc4)c4c1c(ccc4)c1c3cccc1)c2)CCCCCC
• Title of publication: Fluoradenes via palladium-catalyzed intramolecular arylation
• Authors of publication: Lingling Rong; Qiancai Liu; Yingbo Shi; Jie Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2155
• a: 28.2705 ± 0.001 Å
• b: 12.8474 ± 0.0005 Å
• c: 15.7041 ± 0.0006 Å
• α: 90°
• β: 112.209 ± 0.001°
• γ: 90°
• Cell volume: 5280.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No