Information card for entry 1503476

Structure parameters

• Formula: C48 H36 N2 O2
• Calculated formula: C48 H36 N2 O2
• SMILES: O(c1c(c2c3nc4c(c(c3CCc2cc1)c1ccccc1)cccc4)c1c(OC)ccc2c1c1nc3c(c(c1CC2)c1ccccc1)cccc3)C
• 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: 11.4305 ± 0.0008 Å
• b: 25.443 ± 0.002 Å
• c: 12.0501 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3504.5 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9889
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No