Information card for entry 1520384

Structure parameters

• Formula: C37 H66 N4 O4
• Calculated formula: C37 H66 N4 O4
• SMILES: O=C(NCCCCCCCCCCCC)c1nc2c(nc1[O-])cccc2.O.O.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 8.0639 ± 0.0006 Å
• b: 16.5724 ± 0.0011 Å
• c: 29.689 ± 0.002 Å
• α: 79.436 ± 0.003°
• β: 86.017 ± 0.004°
• γ: 89.75 ± 0.003°
• Cell volume: 3890.8 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.3919
• Residual factor for significantly intense reflections: 0.1477
• Weighted residual factors for significantly intense reflections: 0.319
• Weighted residual factors for all reflections included in the refinement: 0.4673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No