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Information card for entry 8000199
Preview
| Coordinates | 8000199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N4 O |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8000199.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000199.cif |
| 104359 | 2014-03-10 | cif/ Adding structures of 8000199 via cif-deposit CGI script. |
8000199.cif |
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Users of the data should acknowledge the original authors of the
structural data.