Information card for entry 4024481

Structure parameters

• Formula: C40 H42 N4
• Calculated formula: C40 H42 N4
• SMILES: N1c2c(N=C(C1(CCCC)c1ccccc1)c1ccccc1)c(ccc2c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
• Title of publication: Fluorescence Control on Panchromatic Spectra via C-Alkylation on Arylated Quinoxalines
• Authors of publication: Ho-Jin Son; Won-Sik Han; Dae-Hwan Yoo; Kyoung-Tae Min; Soon-Nam Kwon; Jaejung Ko; Sang Ook Kang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3175 - 3178
• a: 10.1199 ± 0.0011 Å
• b: 12.8822 ± 0.0014 Å
• c: 13.9569 ± 0.0015 Å
• α: 102.044 ± 0.002°
• β: 108.516 ± 0.002°
• γ: 99.249 ± 0.002°
• Cell volume: 1636 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No