Information card for entry 4031750

Structure parameters

• Formula: C15 H19 N3 O2
• Calculated formula: C15 H19 N3 O2
• SMILES: O=C1N(C(=N/C1=C\c1cc(N(C)C)ccc1)C)CCO
• Title of publication: Cooperativity and Site-Selectivity of Intramolecular Hydrogen Bonds on the Fluorescence Quenching of Modified GFP Chromophores.
• Authors of publication: Chang, Deng-Hsiang; Ou, Chun-Lin; Hsu, Hung-Yu; Huang, Guan-Jhih; Kao, Chen-Yi; Liu, Yi-Hung; Peng, Shie-Ming; Diau, Eric Wei-Guang; Yang, Jye-Shane
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12431 - 12443
• a: 9.4598 ± 0.0002 Å
• b: 7.6176 ± 0.0001 Å
• c: 10.0179 ± 0.0002 Å
• α: 90°
• β: 95.575 ± 0.002°
• γ: 90°
• Cell volume: 718.48 ± 0.02 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No