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Information card for entry 8105441
Preview
Coordinates | 8105441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 N2 O3 |
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Calculated formula | C19 H18 N2 O3 |
Title of publication | The crystal structure of 2-(2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl)phenoxy)acetate, C19H18N2O3 |
Authors of publication | Li-Hua, Wang; Xi-Shi, Tai |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 6 |
Pages of publication | 1275 - 1276 |
a | 12.6187 ± 0.0007 Å |
b | 9.4445 ± 0.0005 Å |
c | 13.7424 ± 0.0008 Å |
α | 90° |
β | 99.248 ± 0.005° |
γ | 90° |
Cell volume | 1616.49 ± 0.16 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0874 |
Residual factor for significantly intense reflections | 0.0793 |
Weighted residual factors for significantly intense reflections | 0.2193 |
Weighted residual factors for all reflections included in the refinement | 0.222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.233 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/8105441.html
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