Information card for entry 7228682

Structure parameters

• Chemical name: 2-(Diethylamino)-5,6,7,8,9,10-hexahydrocycloocta[b] pyridine-3,4-dicarbonitrile
• Formula: C17 H22 N4
• Calculated formula: C17 H22 N4
• SMILES: n1c(N(CC)CC)c(c(c2CCCCCCc12)C#N)C#N
• Title of publication: Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives
• Authors of publication: Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 55
• Pages of publication: 34886
• a: 4.9799 ± 0.0003 Å
• b: 14.1541 ± 0.0007 Å
• c: 22.8964 ± 0.0012 Å
• α: 90°
• β: 92.652 ± 0.002°
• γ: 90°
• Cell volume: 1612.15 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2673
• Weighted residual factors for all reflections included in the refinement: 0.2923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No