Information card for entry 7155438

Structure parameters

• Common name: (P)-(+)-2-Aza(6)helicene
• Chemical name: (P)-(+)-Benzo(5,6)phenanthro(3,4-h)isoquinoline
• Formula: C25 H15 N
• Calculated formula: C25 H15 N
• SMILES: n1cc2c(cc1)ccc1ccc3ccc4ccc5ccccc5c4c3c21
• Title of publication: Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.
• Authors of publication: Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1321 - 1324
• a: 7.25647 ± 0.00018 Å
• b: 13.0278 ± 0.0004 Å
• c: 17.2343 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1629.26 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No