Information card for entry 1508655

Structure parameters

• Formula: C14 H17 N3 O
• Calculated formula: C14 H17 N3 O
• SMILES: O=C1N(C(=N/C1=C\c1cccc(N(C)C)c1)C)C
• Title of publication: Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.
• Authors of publication: Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5034 - 5037
• a: 7.3253 ± 0.0006 Å
• b: 24.5749 ± 0.0012 Å
• c: 8.0859 ± 0.0007 Å
• α: 90°
• β: 116.611 ± 0.011°
• γ: 90°
• Cell volume: 1301.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No