Information card for entry 7155174

Structure parameters

• Formula: C24 H23 N
• Calculated formula: C24 H23 N
• SMILES: n1(cc(c2c1cccc2C)Cc1ccccc1)Cc1ccccc1C
• Title of publication: Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.
• Authors of publication: Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 7053 - 7060
• a: 8.9502 ± 0.0006 Å
• b: 9.1881 ± 0.0005 Å
• c: 11.6731 ± 0.0008 Å
• α: 83.963 ± 0.006°
• β: 70.783 ± 0.005°
• γ: 77.642 ± 0.005°
• Cell volume: 884.82 ± 0.1 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No