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Information card for entry 4031750
Preview
Coordinates | 4031750.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H19 N3 O2 |
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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 Å3 |
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 |
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