Information card for entry 7105985

Structure parameters

• Formula: C37 H25 N
• Calculated formula: C37 H25 N
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(C23c4c(cccc4)c4c2c(ccc4)c2c3cccc2)cc1
• 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: 8.2045 ± 0.0004 Å
• b: 28.7349 ± 0.0014 Å
• c: 10.9365 ± 0.0005 Å
• α: 90°
• β: 96.475 ± 0.002°
• γ: 90°
• Cell volume: 2561.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No