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Information card for entry 4037509
Preview
Coordinates | 4037509.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H16 N4 O |
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Calculated formula | C15 H16 N4 O |
SMILES | O=C1N(C(=N/C1=C\c1cc(N(C)C)ccc1C#N)C)C |
Title of publication | Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect. |
Authors of publication | Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 8031 - 8039 |
a | 10.3427 ± 0.0006 Å |
b | 11.3011 ± 0.0008 Å |
c | 13.1434 ± 0.0011 Å |
α | 111.232 ± 0.007° |
β | 92.812 ± 0.006° |
γ | 101.965 ± 0.006° |
Cell volume | 1387.82 ± 0.19 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0766 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1586 |
Weighted residual factors for all reflections included in the refinement | 0.1807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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