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Information card for entry 8106776
Preview
Coordinates | 8106776.cif |
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Original paper (by DOI) | HTML |
Chemical name | trans-1,2-bis(pyridinium-4-yl)ethylene-2-carboxy-4-methylbenzoate |
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Formula | C15 H16 N O4 |
Calculated formula | C15 H16 N O4 |
Title of publication | Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C30H26N2O8 |
Authors of publication | Jing, Liu; Min-Le, Han |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 31 - 33 |
a | 17.567 ± 0.002 Å |
b | 13.1375 ± 0.0017 Å |
c | 13.4212 ± 0.0017 Å |
α | 90° |
β | 124.084 ± 0.001° |
γ | 90° |
Cell volume | 2565.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0629 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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