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Information card for entry 4119657
Preview
Coordinates | 4119657.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-(2-anthracenyl)-N'-(phenyl)-urea |
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Formula | C21 H16 N2 O |
Calculated formula | C21 H16 N2 O |
SMILES | C(=O)(Nc1ccc2cc3ccccc3cc2c1)Nc1ccccc1 |
Title of publication | The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response |
Authors of publication | Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 6345 - 6355 |
a | 33.056 ± 0.004 Å |
b | 4.6392 ± 0.0006 Å |
c | 10.2004 ± 0.0014 Å |
α | 90° |
β | 99.452 ± 0.003° |
γ | 90° |
Cell volume | 1543 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4119657.html
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Users of the data should acknowledge the original authors of the
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