Information card for entry 7155176

Structure parameters

• Formula: C26 H26 N2 O
• Calculated formula: C26 H26 N2 O
• SMILES: O1N=C(c2ccccc2)C[C@]2(c3c(N(Cc4c(ccc(c4)C)C)[C@@H]12)cccc3)C.O1N=C(c2ccccc2)C[C@@]2(c3c(N(Cc4c(ccc(c4)C)C)[C@H]12)cccc3)C
• 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: 6.819 ± 0.0012 Å
• b: 8.4731 ± 0.0015 Å
• c: 17.387 ± 0.003 Å
• α: 91.13 ± 0.004°
• β: 90.978 ± 0.005°
• γ: 96.993 ± 0.004°
• Cell volume: 996.7 ± 0.3 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No