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Information card for entry 7234152
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Coordinates | 7234152.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | III |
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Chemical name | 1-naphtyl pyridine-2-carboxylate |
Formula | C16 H11 N O2 |
Calculated formula | C16 H11 N O2 |
Title of publication | Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis |
Authors of publication | Samie, Ali; Salimi, Alireza; Garrison, Jered C. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 42 |
Pages of publication | 6432 |
a | 15.21 ± 0.04 Å |
b | 8.42 ± 0.02 Å |
c | 20.22 ± 0.05 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2590 ± 11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1096 |
Residual factor for significantly intense reflections | 0.0991 |
Weighted residual factors for significantly intense reflections | 0.2867 |
Weighted residual factors for all reflections included in the refinement | 0.3057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
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/7234152.html
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Users of the data should acknowledge the original authors of the
structural data.