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Information card for entry 1513044
Preview
Coordinates | 1513044.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,4bis(2hydroxyethyl)piperazinium MA MA acid |
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Formula | C24 H34 Cl0 N2 O8 |
Calculated formula | C24 H34 N2 O8 |
SMILES | C1[NH+](CCN(C1)CCO)CCO.O=C([C@H](O)c1ccccc1)[O-].c1ccccc1[C@H](O)C(=O)O |
Title of publication | Matrixes in UV-MALDI Mass spectrometry crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids |
Authors of publication | Ivanova, Bojidarka |
Journal of publication | Analytical Methods |
Year of publication | 2012 |
Journal volume | 4 |
Pages of publication | 2247 |
a | 7.711 ± 0.003 Å |
b | 12.974 ± 0.006 Å |
c | 23.865 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2387.5 ± 1.8 Å3 |
Cell temperature | 199 ± 2 K |
Ambient diffraction temperature | 199 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1227 |
Residual factor for significantly intense reflections | 0.1047 |
Weighted residual factors for significantly intense reflections | 0.2195 |
Weighted residual factors for all reflections included in the refinement | 0.2338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1513044.cif |
124583 | 2014-10-05 | cif/1/ (saulius@koala.ibt.lt) Removing Professor Michael Spiteller's name from the authors' list as requested in the addendum: http://www.rsc.org/suppdata/ay/c2/c2ay25090j/addition.htm |
1513044.cif |
91877 | 2013-12-18 | cif/1/51/30/ Fixing bibliographies for CIFs 1513042-1513064: moving author contacts from '_chemical_name_systematic' field to appropriate tags. Adding DOIs where missing. |
1513044.cif |
91372 | 2013-12-13 | cif/ Adding structures of 1513044 via cif-deposit CGI script. |
1513044.cif |
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Users of the data should acknowledge the original authors of the
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