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Information card for entry 8102568
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Coordinates | 8102568.cif |
---|---|
External links | ChemSpider |
Chemical name | 4-fluoro-phenylguanidinium methanesulfonic acid |
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Formula | C8 H12 F N3 O3 S |
Calculated formula | C8 H12 F N3 O3 S |
SMILES | c1(ccc(cc1)F)NC(=[NH2+])N.CS(=O)(=O)[O-] |
Title of publication | Crystal structure of 4-fluorophenylguanidinium methanesulfonate, [C7H9FN3][CH3SO3] |
Authors of publication | Chang-Mei Wei; Ming Ji; San-Jun Zhi; Dong Ke; Wei-Feng Wan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2009 |
Journal volume | 224 |
Journal issue | 4 |
Pages of publication | 519 |
a | 5.9671 ± 0.0011 Å |
b | 13.46 ± 0.002 Å |
c | 14.275 ± 0.002 Å |
α | 90° |
β | 99.232 ± 0.007° |
γ | 90° |
Cell volume | 1131.7 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0566 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1455 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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