Information card for entry 1503479

Structure parameters

• Formula: C46 H32 N2 O2
• Calculated formula: C46 H32 N2 O2
• SMILES: Oc1ccc2c(c1c1c3c(ccc1O)CCc1c(c4c(nc31)cccc4)c1ccccc1)c1nc3c(c(c4ccccc4)c1CC2)cccc3
• 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: 15.359 ± 0.005 Å
• b: 23.994 ± 0.005 Å
• c: 10.421 ± 0.005 Å
• α: 90°
• β: 93.476 ± 0.005°
• γ: 90°
• Cell volume: 3833 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.144
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections: 0.1504
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1294
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No