Information card for entry 4031751

Structure parameters

• Formula: C16 H21 N3 O2
• Calculated formula: C16 H21 N3 O2
• SMILES: N1=C(N(C(=O)C\1=C\c1cccc(N(C)C)c1)C)CC(C)O
• 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: 7.4623 ± 0.0008 Å
• b: 7.9403 ± 0.0009 Å
• c: 14.3735 ± 0.0015 Å
• α: 100.622 ± 0.009°
• β: 92.419 ± 0.009°
• γ: 112.362 ± 0.01°
• Cell volume: 768.19 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1336
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No