Information card for entry 1503477

Structure parameters

• Formula: C48 H34 Cl2 N2 O2
• Calculated formula: C48 H34 Cl2 N2 O2
• SMILES: c12c3c4c5c6nc7ccccc7c(c6CCc5ccc4OCOc3ccc2CCc2c1nc1ccccc1c2c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.
• Authors of publication: Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 288 - 291
• a: 34.248 ± 0.005 Å
• b: 12.589 ± 0.005 Å
• c: 20.845 ± 0.005 Å
• α: 90°
• β: 124.556 ± 0.005°
• γ: 90°
• Cell volume: 7402 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.1569
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections: 0.1907
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8814
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No