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Information card for entry 8000199
Preview
Coordinates | 8000199.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H12 N4 O |
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Calculated formula | C14 H12 N4 O |
SMILES | [nH]1ccnc1/C=C1\N=C(N(C1=O)C)c1ccccc1 |
Title of publication | Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond |
Authors of publication | Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei |
Journal of publication | The Journal of Physical Chemistry Letters |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 1 |
Pages of publication | 92 |
a | 7.5326 ± 0.0011 Å |
b | 9.6002 ± 0.0013 Å |
c | 10.1649 ± 0.0014 Å |
α | 99.619 ± 0.002° |
β | 109.189 ± 0.002° |
γ | 109.599 ± 0.002° |
Cell volume | 621.42 ± 0.15 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 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 | 0.0671 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1176 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8000199.html
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