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Information card for entry 4119154
Preview
Coordinates | 4119154.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H19 I N4 S |
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Calculated formula | C22 H19 I N4 S |
SMILES | [I-].S1c2ccccc2N(/C1=C(c1cc[n+](c2ccccc12)C)/C#N)C.N#CC |
Title of publication | Twisted Cyanines: A Non-Planar Fluorogenic Dye with Superior Photostability and its Use in a Protein-Based Fluoromodule |
Authors of publication | Nathaniel I. Shank; Ha H. Pham; Alan S. Waggoner; Bruce A. Armitage |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 242 - 251 |
a | 19.063 ± 0.0005 Å |
b | 14.8769 ± 0.0004 Å |
c | 7.352 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2085.02 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0327 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0817 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.824 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119154.html
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Users of the data should acknowledge the original authors of the
structural data.