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Information card for entry 8106941
Preview
| Coordinates | 8106941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 N O2 |
|---|---|
| Calculated formula | C16 H11 N O2 |
| Title of publication | Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2 |
| Authors of publication | Shi, Da-Bin; Meng, Chao; Chen, Yong-Zheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 565 - 567 |
| a | 7.3496 ± 0.0015 Å |
| b | 9.3709 ± 0.0017 Å |
| c | 9.4112 ± 0.0016 Å |
| α | 104.712 ± 0.006° |
| β | 96.261 ± 0.007° |
| γ | 103.4 ± 0.007° |
| Cell volume | 600.1 ± 0.2 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.0872 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281978 (current) | 2023-03-22 | cif/ Adding structures of 8106941 via cif-deposit CGI script. |
8106941.cif |
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Users of the data should acknowledge the original authors of the
structural data.