Information card for entry 1502012

Structure parameters

• Formula: C30 H26
• Calculated formula: C30 H26
• SMILES: c1(c(c2c(c3c1ccc(c3)C)cc(cc2)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Sequential oxidative transformation of tetraarylethylenes to 9,10-diarylphenanthrenes and dibenzo[g,p]chrysenes using DDQ as an oxidant.
• Authors of publication: Navale, Tushar S.; Thakur, Khushabu; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1634 - 1637
• a: 10.9572 ± 0.0011 Å
• b: 10.3404 ± 0.0012 Å
• c: 19.78 ± 0.002 Å
• α: 90°
• β: 104.931 ± 0.006°
• γ: 90°
• Cell volume: 2165.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No