Information card for entry 1520382

Structure parameters

• Formula: C44 H67 I Li N7 O5
• Calculated formula: C44 H67 I Li N7 O5
• SMILES: [I-].[O]1=C(NCCCCCCCCCCCC)c2[n](c3c([nH]c2=O)cccc3)[Li]21([O]=C(c1[n]2c2c([nH]c1=O)cccc2)NCCCCCCCCCCCC)[OH2].N#CC
• Title of publication: Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism.
• Authors of publication: Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 24
• Pages of publication: 6223 - 6231
• a: 9.7164 Å
• b: 12.2827 Å
• c: 20.5362 Å
• α: 89.4219°
• β: 77.1355°
• γ: 72.4856°
• Cell volume: 2274.31 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No