Information card for entry 4120703

Structure parameters

• Formula: C13 H19 N3 O2
• Calculated formula: C13 H19 N3 O2
• Title of publication: Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.
• Authors of publication: Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 495 - 505
• a: 17.919 ± 0.002 Å
• b: 15.3943 ± 0.0015 Å
• c: 9.6893 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2672.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No