Information card for entry 7217170

Structure parameters

• Formula: C30 H16 Br2
• Calculated formula: C30 H16 Br2
• SMILES: c12ccccc1ccc1c2c2c(cc1)c(c(c1c2c2c(cc1)ccc1c2cccc1)Br)Br
• Title of publication: Benzylic-Type Couplings Provide an Important Asymmetric Entry to Functionalized, Non-Racemic Helicenes
• Authors of publication: Terrasson, Vincent; Roy, Myriam; Moutard, Stéphane; Lafontaine, Marie-Pier; Pèpe, Gérard; Félix, Guy; Gingras, Marc
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 16.362 ± 0.003 Å
• b: 15.987 ± 0.002 Å
• c: 8.16 ± 0.001 Å
• α: 90°
• β: 97.389 ± 0.009°
• γ: 90°
• Cell volume: 2116.8 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.2121
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No