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Information card for entry 1506325
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Coordinates | 1506325.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C9 H17 Cl N2 |
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Calculated formula | C9 H17 Cl N2 |
SMILES | [Cl-].n1(c([n+](cc1)C)C)CCCC |
Title of publication | Ionic liquids as advantageous solvents for headspace gas chromatography of compounds with low vapor pressure. |
Authors of publication | Andre, M.; Loidl, J.; Laus, G.; Schottenberger, H.; Bentivoglio, G.; Wurst, K.; Ongania, K.-H. |
Journal of publication | Analytical chemistry |
Year of publication | 2005 |
Journal volume | 77 |
Journal issue | 2 |
Pages of publication | 702 - 705 |
a | 8.4032 ± 0.0003 Å |
b | 11.7073 ± 0.0004 Å |
c | 10.7526 ± 0.0003 Å |
α | 90° |
β | 90.529 ± 0.002° |
γ | 90° |
Cell volume | 1057.78 ± 0.06 Å3 |
Cell temperature | 233 ± 2 K |
Ambient diffraction temperature | 233 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0874 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506325.cif |
176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506325.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506325.cif |
49994 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506325 via cif-deposit CGI script. |
1506325.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.